REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2we8_1_B DATA FIRST_RESID 5 DATA SEQUENCE VRDVLGTLSA VWESGGTAGV GTVVRTXXXX XXPAGASMVV APDGTVSGSV DATA SEQUENCE SGGCVEGAVY DLATEVVATG TPVLQRYXXX XXXXXXXXXX XGGILDVFVE DATA SEQUENCE PVSQKTFPQL GAIRDDIEAQ RPVAVATVIT HPDAQWIGRR LVVHTDEVAG DATA SEQUENCE SLGSSRADAA VTDDARGLLA AGRSEVLTYG PDGQRRGEGM EVFVSSYAPR DATA SEQUENCE PRMLVFGAID FAAAVAQQGA FLGYRVTVCD ARPVFATTAR FPTADEVVVD DATA SEQUENCE WPHRYLAAQA EAGAIDARTV VCVLTHDPKF DVPLLEVALR LPDIAYIGAM DATA SEQUENCE GSRRTHEDRL ARLREAGLTE EELARLSSPI GLDLGGRTPE ETAVSIAAEI DATA SEQUENCE IAKRW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.159 176.094 0.109 0.000 1.182 5 V CA 0.000 62.414 62.300 0.191 0.000 1.235 5 V CB 0.000 31.951 31.823 0.214 0.000 1.184 6 R N 1.912 122.497 120.500 0.141 0.000 2.139 6 R HA -0.187 4.153 4.340 -0.000 0.000 0.243 6 R C 1.914 178.229 176.300 0.026 0.000 1.145 6 R CA 2.125 58.261 56.100 0.059 0.000 0.976 6 R CB -0.204 30.150 30.300 0.090 0.000 0.866 6 R HN 0.860 nan 8.270 nan 0.000 0.449 7 D N 0.003 120.426 120.400 0.039 0.000 2.137 7 D HA -0.095 4.545 4.640 -0.000 0.000 0.202 7 D C 1.595 177.907 176.300 0.019 0.000 0.970 7 D CA 1.152 55.167 54.000 0.026 0.000 0.837 7 D CB -0.204 40.614 40.800 0.031 0.000 0.981 7 D HN 0.270 nan 8.370 nan 0.000 0.475 8 V N -1.044 118.885 119.914 0.026 0.000 3.514 8 V HA 0.183 4.303 4.120 -0.000 0.000 0.301 8 V C 2.198 178.295 176.094 0.004 0.000 1.346 8 V CA -0.235 62.078 62.300 0.022 0.000 1.156 8 V CB -0.501 31.344 31.823 0.036 0.000 1.029 8 V HN -0.028 nan 8.190 nan 0.000 0.428 9 L N 2.450 123.663 121.223 -0.017 0.000 2.131 9 L HA 0.166 4.506 4.340 -0.000 0.000 0.210 9 L C 2.326 179.163 176.870 -0.055 0.000 1.092 9 L CA 2.365 57.168 54.840 -0.063 0.000 0.759 9 L CB -0.908 41.090 42.059 -0.102 0.000 0.903 9 L HN 0.335 nan 8.230 nan 0.000 0.435 10 G N -1.544 107.238 108.800 -0.029 0.000 2.433 10 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 10 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 10 G C 1.409 176.310 174.900 0.001 0.000 1.186 10 G CA 1.206 46.297 45.100 -0.016 0.000 0.779 10 G HN 0.436 nan 8.290 nan 0.000 0.543 11 T N 1.198 115.758 114.554 0.010 0.000 2.746 11 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 11 T C 2.237 176.957 174.700 0.034 0.000 1.039 11 T CA 1.188 63.302 62.100 0.024 0.000 1.142 11 T CB -0.243 68.641 68.868 0.028 0.000 0.866 11 T HN 0.117 nan 8.240 nan 0.000 0.444 12 L N 0.993 122.231 121.223 0.025 0.000 2.056 12 L HA 0.119 4.459 4.340 -0.000 0.000 0.207 12 L C 2.550 179.458 176.870 0.063 0.000 1.078 12 L CA 1.527 56.390 54.840 0.039 0.000 0.749 12 L CB -0.990 41.075 42.059 0.009 0.000 0.901 12 L HN 0.115 nan 8.230 nan 0.000 0.433 13 S N -0.899 114.810 115.700 0.015 0.000 2.402 13 S HA -0.081 4.389 4.470 -0.000 0.000 0.229 13 S C 2.072 176.751 174.600 0.133 0.000 1.021 13 S CA 0.971 59.193 58.200 0.037 0.000 0.974 13 S CB -0.316 62.855 63.200 -0.049 0.000 0.800 13 S HN 0.668 nan 8.310 nan 0.000 0.484 14 A N 0.616 123.486 122.820 0.083 0.000 1.898 14 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 14 A C 2.230 179.866 177.584 0.086 0.000 1.181 14 A CA 1.522 53.605 52.037 0.077 0.000 0.620 14 A CB -0.768 18.259 19.000 0.045 0.000 0.819 14 A HN 0.395 nan 8.150 nan 0.000 0.442 15 V N -2.326 117.645 119.914 0.094 0.000 2.427 15 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 15 V C 2.153 178.312 176.094 0.109 0.000 1.051 15 V CA 1.722 64.072 62.300 0.083 0.000 1.048 15 V CB -0.960 30.911 31.823 0.079 0.000 0.666 15 V HN 0.833 nan 8.190 nan 0.000 0.456 16 W N 1.229 122.514 121.300 -0.024 0.000 2.355 16 W HA -0.179 4.481 4.660 -0.000 0.000 0.309 16 W C 2.430 178.934 176.519 -0.025 0.000 1.206 16 W CA 2.045 59.372 57.345 -0.029 0.000 1.284 16 W CB -0.040 29.383 29.460 -0.062 0.000 1.145 16 W HN 0.187 nan 8.180 nan 0.000 0.502 17 E N -0.132 120.172 120.200 0.174 0.000 2.077 17 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 17 E C 2.409 178.960 176.600 -0.083 0.000 0.989 17 E CA 2.264 58.680 56.400 0.028 0.000 0.800 17 E CB -0.517 29.252 29.700 0.115 0.000 0.746 17 E HN 0.271 nan 8.360 nan 0.000 0.452 18 S N -1.520 114.155 115.700 -0.041 0.000 2.474 18 S HA -0.001 4.469 4.470 -0.000 0.000 0.235 18 S C 1.745 176.291 174.600 -0.090 0.000 0.997 18 S CA 0.824 58.995 58.200 -0.049 0.000 0.949 18 S CB -0.001 63.189 63.200 -0.017 0.000 0.766 18 S HN 0.431 nan 8.310 nan 0.000 0.517 19 G N 0.080 108.789 108.800 -0.152 0.000 2.176 19 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.232 19 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.232 19 G C 0.346 175.171 174.900 -0.124 0.000 0.986 19 G CA -0.158 44.834 45.100 -0.180 0.000 0.643 19 G HN 1.081 nan 8.290 nan 0.000 0.522 20 G N -0.456 108.298 108.800 -0.078 0.000 2.504 20 G HA2 0.585 4.545 3.960 -0.000 0.000 0.288 20 G HA3 0.585 4.545 3.960 -0.000 0.000 0.288 20 G C 0.021 174.910 174.900 -0.019 0.000 1.182 20 G CA 0.544 45.620 45.100 -0.039 0.000 0.894 20 G HN 0.578 nan 8.290 nan 0.000 0.521 21 T N 0.375 114.928 114.554 -0.002 0.000 2.845 21 T HA 0.593 4.943 4.350 -0.000 0.000 0.288 21 T C 0.337 175.056 174.700 0.032 0.000 0.980 21 T CA -0.018 62.097 62.100 0.024 0.000 1.071 21 T CB 1.535 70.413 68.868 0.016 0.000 0.941 21 T HN 0.820 nan 8.240 nan 0.000 0.487 22 A N 1.994 124.851 122.820 0.062 0.000 2.320 22 A HA 0.819 5.139 4.320 -0.000 0.000 0.334 22 A C 0.455 178.062 177.584 0.038 0.000 1.147 22 A CA -0.851 51.215 52.037 0.049 0.000 0.820 22 A CB 1.008 20.055 19.000 0.078 0.000 1.218 22 A HN 0.962 nan 8.150 nan 0.000 0.482 23 G N 0.423 109.222 108.800 -0.003 0.000 2.377 23 G HA2 0.523 4.483 3.960 -0.000 0.000 0.316 23 G HA3 0.523 4.483 3.960 -0.000 0.000 0.316 23 G C -0.780 174.122 174.900 0.003 0.000 1.115 23 G CA -0.192 44.895 45.100 -0.021 0.000 0.952 23 G HN 0.734 nan 8.290 nan 0.000 0.441 24 V N 2.117 122.055 119.914 0.041 0.000 2.398 24 V HA 0.767 4.887 4.120 -0.000 0.000 0.286 24 V C 0.744 176.878 176.094 0.067 0.000 1.026 24 V CA -0.623 61.722 62.300 0.075 0.000 0.868 24 V CB 1.527 33.431 31.823 0.135 0.000 0.982 24 V HN 0.803 nan 8.190 nan 0.000 0.443 25 G N 2.461 111.300 108.800 0.065 0.000 2.416 25 G HA2 0.640 4.600 3.960 -0.000 0.000 0.324 25 G HA3 0.640 4.600 3.960 -0.000 0.000 0.324 25 G C -0.533 174.430 174.900 0.104 0.000 1.194 25 G CA -0.366 44.775 45.100 0.069 0.000 0.922 25 G HN 0.600 nan 8.290 nan 0.000 0.467 26 T N 1.170 115.806 114.554 0.136 0.000 2.848 26 T HA 0.465 4.815 4.350 -0.000 0.000 0.285 26 T C 0.295 175.011 174.700 0.025 0.000 0.995 26 T CA -0.490 61.686 62.100 0.126 0.000 0.970 26 T CB 1.684 70.691 68.868 0.231 0.000 0.976 26 T HN 0.874 nan 8.240 nan 0.000 0.441 27 V N 2.202 122.105 119.914 -0.019 0.000 2.555 27 V HA 0.389 4.509 4.120 -0.000 0.000 0.286 27 V C 0.613 176.508 176.094 -0.332 0.000 1.044 27 V CA -0.101 62.142 62.300 -0.095 0.000 1.026 27 V CB 0.664 32.464 31.823 -0.039 0.000 0.981 27 V HN 0.722 nan 8.190 nan 0.000 0.480 28 V N 3.943 123.610 119.914 -0.411 0.000 2.806 28 V HA 0.319 4.439 4.120 -0.000 0.000 0.239 28 V C 1.188 177.067 176.094 -0.358 0.000 1.113 28 V CA 0.655 62.497 62.300 -0.764 0.000 1.137 28 V CB -0.041 31.448 31.823 -0.556 0.000 0.865 28 V HN 0.906 nan 8.190 nan 0.000 0.482 29 R N -0.636 119.762 120.500 -0.170 0.000 2.599 29 R HA 0.656 4.996 4.340 -0.000 0.000 0.295 29 R C -0.571 175.704 176.300 -0.042 0.000 0.963 29 R CA 0.107 56.163 56.100 -0.073 0.000 0.883 29 R CB 2.190 32.464 30.300 -0.044 0.000 1.171 29 R HN 0.239 nan 8.270 nan 0.000 0.450 38 A N 1.056 123.889 122.820 0.020 0.000 2.524 38 A HA 0.526 4.846 4.320 -0.000 0.000 0.250 38 A C 1.464 179.127 177.584 0.132 0.000 1.078 38 A CA 1.513 53.568 52.037 0.030 0.000 0.761 38 A CB -0.381 18.636 19.000 0.028 0.000 1.012 38 A HN 1.624 nan 8.150 nan 0.000 0.500 39 G N 1.057 109.964 108.800 0.178 0.000 2.481 39 G HA2 0.233 4.193 3.960 -0.000 0.000 0.200 39 G HA3 0.233 4.193 3.960 -0.000 0.000 0.200 39 G C 0.649 175.637 174.900 0.147 0.000 1.012 39 G CA 0.156 45.385 45.100 0.216 0.000 0.676 39 G HN 2.121 nan 8.290 nan 0.000 0.488 40 A N 0.540 123.415 122.820 0.091 0.000 2.498 40 A HA 0.669 4.989 4.320 -0.000 0.000 0.239 40 A C 0.720 178.354 177.584 0.084 0.000 1.068 40 A CA 1.368 53.450 52.037 0.075 0.000 0.766 40 A CB 0.200 19.227 19.000 0.045 0.000 1.003 40 A HN 2.032 nan 8.150 nan 0.000 0.497 41 S N 1.504 117.256 115.700 0.088 0.000 2.541 41 S HA 0.684 5.154 4.470 -0.000 0.000 0.271 41 S C -0.523 174.121 174.600 0.073 0.000 1.133 41 S CA -0.631 57.625 58.200 0.093 0.000 0.876 41 S CB 1.273 64.552 63.200 0.132 0.000 1.105 41 S HN 1.288 nan 8.310 nan 0.000 0.470 42 M N 1.623 121.262 119.600 0.065 0.000 2.508 42 M HA 0.863 5.343 4.480 -0.000 0.000 0.327 42 M C -1.165 175.168 176.300 0.056 0.000 1.160 42 M CA -0.959 54.375 55.300 0.058 0.000 0.980 42 M CB 1.953 34.585 32.600 0.054 0.000 1.693 42 M HN 0.656 nan 8.290 nan 0.000 0.452 43 V N 3.714 123.659 119.914 0.051 0.000 2.531 43 V HA 0.656 4.776 4.120 -0.000 0.000 0.301 43 V C -1.360 174.749 176.094 0.026 0.000 1.034 43 V CA -0.538 61.786 62.300 0.041 0.000 0.865 43 V CB 2.044 33.896 31.823 0.049 0.000 0.995 43 V HN 0.833 nan 8.190 nan 0.000 0.424 44 V N 7.618 127.521 119.914 -0.018 0.000 2.333 44 V HA 0.703 4.822 4.120 -0.000 0.000 0.274 44 V C 0.939 177.014 176.094 -0.032 0.000 1.028 44 V CA 0.133 62.395 62.300 -0.062 0.000 0.851 44 V CB 0.904 32.575 31.823 -0.255 0.000 1.000 44 V HN 1.204 nan 8.190 nan 0.000 0.456 45 A N 7.394 130.218 122.820 0.007 0.000 2.386 45 A HA 0.516 4.836 4.320 -0.000 0.000 0.246 45 A C -1.292 176.294 177.584 0.004 0.000 1.089 45 A CA -0.978 51.069 52.037 0.017 0.000 0.790 45 A CB -0.040 18.980 19.000 0.032 0.000 1.042 45 A HN 0.679 nan 8.150 nan 0.000 0.497 46 P HA -0.059 nan 4.420 nan 0.000 0.229 46 P C 0.426 177.732 177.300 0.011 0.000 1.160 46 P CA 1.208 64.309 63.100 0.001 0.000 0.777 46 P CB 0.042 31.743 31.700 0.002 0.000 0.814 47 D N -1.310 119.103 120.400 0.021 0.000 2.347 47 D HA 0.028 4.668 4.640 -0.000 0.000 0.213 47 D C 1.526 177.857 176.300 0.051 0.000 0.985 47 D CA 1.017 55.036 54.000 0.031 0.000 0.879 47 D CB -0.651 40.166 40.800 0.029 0.000 0.919 47 D HN 0.244 nan 8.370 nan 0.000 0.526 48 G N 0.085 108.920 108.800 0.059 0.000 2.253 48 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.209 48 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.209 48 G C 0.529 175.538 174.900 0.183 0.000 0.997 48 G CA 0.224 45.396 45.100 0.119 0.000 0.640 48 G HN 0.745 nan 8.290 nan 0.000 0.496 49 T N -0.551 114.074 114.554 0.119 0.000 2.932 49 T HA 0.544 4.894 4.350 -0.000 0.000 0.312 49 T C 0.072 174.852 174.700 0.134 0.000 1.071 49 T CA 0.190 62.361 62.100 0.120 0.000 1.128 49 T CB 2.314 71.224 68.868 0.070 0.000 0.984 49 T HN 0.925 nan 8.240 nan 0.000 0.549 50 V N 3.230 123.229 119.914 0.142 0.000 2.540 50 V HA 0.672 4.792 4.120 -0.000 0.000 0.302 50 V C 0.082 176.225 176.094 0.082 0.000 1.035 50 V CA -0.762 61.621 62.300 0.139 0.000 0.873 50 V CB 1.841 33.796 31.823 0.220 0.000 0.992 50 V HN 1.304 nan 8.190 nan 0.000 0.428 51 S N 2.556 118.297 115.700 0.068 0.000 2.599 51 S HA 0.983 5.453 4.470 -0.000 0.000 0.287 51 S C 0.005 174.634 174.600 0.049 0.000 1.105 51 S CA -0.222 58.008 58.200 0.050 0.000 0.899 51 S CB 1.841 65.066 63.200 0.040 0.000 1.100 51 S HN 2.165 nan 8.310 nan 0.000 0.482 52 G N 0.314 109.138 108.800 0.040 0.000 2.829 52 G HA2 0.203 4.163 3.960 -0.000 0.000 0.628 52 G HA3 0.203 4.163 3.960 -0.000 0.000 0.628 52 G C -0.386 174.537 174.900 0.037 0.000 1.412 52 G CA -0.264 44.859 45.100 0.040 0.000 0.864 52 G HN 1.607 nan 8.290 nan 0.000 0.544 53 S N -1.519 114.201 115.700 0.032 0.000 2.572 53 S HA 0.609 5.079 4.470 -0.000 0.000 0.274 53 S C 1.052 175.663 174.600 0.018 0.000 1.150 53 S CA 0.462 58.675 58.200 0.021 0.000 0.944 53 S CB 1.654 64.861 63.200 0.012 0.000 1.071 53 S HN 2.002 nan 8.310 nan 0.000 0.479 54 V N 2.559 122.477 119.914 0.007 0.000 2.374 54 V HA 0.243 4.363 4.120 -0.000 0.000 0.241 54 V C 1.173 177.257 176.094 -0.016 0.000 1.034 54 V CA 1.162 63.462 62.300 0.000 0.000 1.037 54 V CB -1.234 30.586 31.823 -0.004 0.000 0.682 54 V HN 0.795 nan 8.190 nan 0.000 0.463 55 S N 0.518 116.195 115.700 -0.039 0.000 2.694 55 S HA 0.593 5.063 4.470 -0.000 0.000 0.278 55 S C 1.416 176.000 174.600 -0.027 0.000 1.152 55 S CA 0.089 58.263 58.200 -0.043 0.000 1.010 55 S CB 0.777 63.928 63.200 -0.082 0.000 1.104 55 S HN 0.583 nan 8.310 nan 0.000 0.547 56 G N -0.753 108.032 108.800 -0.025 0.000 2.432 56 G HA2 0.345 4.305 3.960 -0.000 0.000 0.219 56 G HA3 0.345 4.305 3.960 -0.000 0.000 0.219 56 G C 0.865 175.753 174.900 -0.020 0.000 1.135 56 G CA 0.748 45.837 45.100 -0.017 0.000 0.767 56 G HN 1.497 nan 8.290 nan 0.000 0.550 57 G N -1.795 106.987 108.800 -0.030 0.000 4.460 57 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.182 57 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.182 57 G C 0.424 175.296 174.900 -0.046 0.000 1.512 57 G CA 0.265 45.346 45.100 -0.032 0.000 0.856 57 G HN 0.609 nan 8.290 nan 0.000 0.289 58 C N 2.324 121.595 119.300 -0.049 0.000 2.657 58 C HA 0.486 4.946 4.460 -0.000 0.000 0.404 58 C C 2.450 177.371 174.990 -0.115 0.000 1.291 58 C CA 1.769 60.748 59.018 -0.064 0.000 2.218 58 C CB 0.175 27.888 27.740 -0.045 0.000 2.687 58 C HN 2.268 nan 8.230 nan 0.000 0.634 59 V N 1.783 121.614 119.914 -0.138 0.000 2.348 59 V HA -0.246 3.874 4.120 -0.000 0.000 0.127 59 V C 1.047 176.994 176.094 -0.245 0.000 0.718 59 V CA 2.463 64.609 62.300 -0.257 0.000 1.447 59 V CB -2.774 28.721 31.823 -0.547 0.000 1.517 59 V HN 1.064 nan 8.190 nan 0.000 0.999 60 E N 1.607 121.725 120.200 -0.136 0.000 2.150 60 E HA 0.071 4.421 4.350 -0.000 0.000 0.193 60 E C 2.164 178.753 176.600 -0.018 0.000 0.985 60 E CA 1.984 58.341 56.400 -0.072 0.000 0.814 60 E CB -0.676 29.000 29.700 -0.041 0.000 0.752 60 E HN 0.954 nan 8.360 nan 0.000 0.466 61 G N 0.220 108.997 108.800 -0.038 0.000 2.422 61 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 61 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 61 G C 1.591 176.520 174.900 0.048 0.000 1.140 61 G CA 0.613 45.704 45.100 -0.015 0.000 0.775 61 G HN 0.404 nan 8.290 nan 0.000 0.545 62 A N -0.101 122.720 122.820 0.001 0.000 2.072 62 A HA 0.335 4.655 4.320 -0.000 0.000 0.216 62 A C 2.406 180.031 177.584 0.067 0.000 1.156 62 A CA 1.090 53.152 52.037 0.042 0.000 0.701 62 A CB -0.073 18.949 19.000 0.037 0.000 0.816 62 A HN 0.196 nan 8.150 nan 0.000 0.458 63 V N -1.411 118.502 119.914 -0.001 0.000 2.591 63 V HA -0.205 3.914 4.120 -0.000 0.000 0.249 63 V C 2.234 178.371 176.094 0.072 0.000 1.053 63 V CA 1.711 64.030 62.300 0.032 0.000 1.068 63 V CB -1.003 30.799 31.823 -0.035 0.000 0.689 63 V HN 0.711 nan 8.190 nan 0.000 0.462 64 Y N 1.871 122.160 120.300 -0.018 0.000 2.145 64 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 64 Y C 2.198 178.100 175.900 0.004 0.000 1.145 64 Y CA 2.160 60.257 58.100 -0.005 0.000 1.148 64 Y CB -0.242 38.212 38.460 -0.010 0.000 0.981 64 Y HN 0.329 nan 8.280 nan 0.000 0.507 65 D N -0.152 120.393 120.400 0.241 0.000 2.178 65 D HA -0.138 4.502 4.640 -0.000 0.000 0.202 65 D C 2.028 178.350 176.300 0.036 0.000 0.974 65 D CA 1.081 55.170 54.000 0.150 0.000 0.841 65 D CB -0.408 40.483 40.800 0.152 0.000 0.953 65 D HN 0.363 nan 8.370 nan 0.000 0.478 66 L N 0.775 122.021 121.223 0.039 0.000 2.027 66 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 66 L C 2.069 178.915 176.870 -0.039 0.000 1.074 66 L CA 1.612 56.461 54.840 0.015 0.000 0.745 66 L CB -0.900 41.193 42.059 0.055 0.000 0.898 66 L HN 0.000 nan 8.230 nan 0.000 0.433 67 A N -1.437 121.340 122.820 -0.071 0.000 1.883 67 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 67 A C 2.252 179.751 177.584 -0.142 0.000 1.186 67 A CA 2.502 54.471 52.037 -0.114 0.000 0.624 67 A CB -1.322 17.590 19.000 -0.146 0.000 0.822 67 A HN 0.527 nan 8.150 nan 0.000 0.444 68 T N -0.381 114.053 114.554 -0.200 0.000 2.759 68 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 68 T C 1.843 176.496 174.700 -0.078 0.000 1.042 68 T CA 1.439 63.438 62.100 -0.168 0.000 1.140 68 T CB -0.176 68.585 68.868 -0.180 0.000 0.864 68 T HN 0.450 nan 8.240 nan 0.000 0.455 69 E N 0.533 120.701 120.200 -0.053 0.000 2.112 69 E HA -0.018 4.332 4.350 -0.000 0.000 0.190 69 E C 2.468 179.047 176.600 -0.034 0.000 0.979 69 E CA 0.459 56.842 56.400 -0.029 0.000 0.814 69 E CB -0.271 29.421 29.700 -0.014 0.000 0.762 69 E HN 0.270 nan 8.360 nan 0.000 0.460 70 V N 0.965 120.849 119.914 -0.049 0.000 2.332 70 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 70 V C 2.559 178.629 176.094 -0.039 0.000 1.055 70 V CA 1.431 63.699 62.300 -0.054 0.000 1.038 70 V CB -0.459 31.316 31.823 -0.081 0.000 0.651 70 V HN 0.086 nan 8.190 nan 0.000 0.450 71 V N 0.106 119.995 119.914 -0.040 0.000 2.407 71 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 71 V C 2.585 178.668 176.094 -0.018 0.000 1.055 71 V CA 1.945 64.230 62.300 -0.026 0.000 1.049 71 V CB -1.040 30.762 31.823 -0.034 0.000 0.662 71 V HN 0.572 nan 8.190 nan 0.000 0.455 72 A N 0.713 123.521 122.820 -0.021 0.000 1.930 72 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 72 A C 2.485 180.064 177.584 -0.008 0.000 1.176 72 A CA 2.082 54.112 52.037 -0.013 0.000 0.632 72 A CB -0.751 18.242 19.000 -0.012 0.000 0.819 72 A HN 0.614 nan 8.150 nan 0.000 0.445 73 T N -4.143 110.405 114.554 -0.010 0.000 2.809 73 T HA 0.335 4.685 4.350 -0.000 0.000 0.260 73 T C 1.668 176.367 174.700 -0.002 0.000 1.039 73 T CA 1.494 63.590 62.100 -0.006 0.000 1.141 73 T CB -0.472 68.391 68.868 -0.008 0.000 0.869 73 T HN 1.664 nan 8.240 nan 0.000 0.437 74 G N 1.401 110.198 108.800 -0.005 0.000 2.176 74 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.232 74 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.232 74 G C 0.284 175.186 174.900 0.004 0.000 0.986 74 G CA 0.294 45.395 45.100 0.002 0.000 0.643 74 G HN 1.294 nan 8.290 nan 0.000 0.522 75 T N 0.198 114.748 114.554 -0.006 0.000 2.791 75 T HA 0.692 5.042 4.350 -0.000 0.000 0.288 75 T C -2.143 172.535 174.700 -0.035 0.000 0.999 75 T CA -1.590 60.509 62.100 -0.002 0.000 0.952 75 T CB 3.029 71.903 68.868 0.010 0.000 0.938 75 T HN 0.152 nan 8.240 nan 0.000 0.444 76 P HA 0.408 nan 4.420 nan 0.000 0.270 76 P C -0.857 176.325 177.300 -0.196 0.000 1.223 76 P CA -0.467 62.517 63.100 -0.193 0.000 0.785 76 P CB 0.791 32.383 31.700 -0.180 0.000 0.923 77 V N 2.282 121.973 119.914 -0.370 0.000 2.733 77 V HA 0.217 4.337 4.120 -0.000 0.000 0.306 77 V C -0.312 175.639 176.094 -0.238 0.000 1.084 77 V CA -0.742 61.437 62.300 -0.201 0.000 0.905 77 V CB 2.030 33.780 31.823 -0.122 0.000 1.010 77 V HN 0.389 nan 8.190 nan 0.000 0.424 78 L N 4.305 125.535 121.223 0.011 0.000 2.255 78 L HA 0.669 5.009 4.340 -0.000 0.000 0.289 78 L C -0.223 176.649 176.870 0.004 0.000 1.046 78 L CA 0.257 55.168 54.840 0.118 0.000 0.816 78 L CB 1.251 43.472 42.059 0.270 0.000 1.197 78 L HN 0.774 nan 8.230 nan 0.000 0.427 79 Q N 4.118 123.895 119.800 -0.040 0.000 2.282 79 Q HA 0.477 4.817 4.340 -0.000 0.000 0.260 79 Q C -0.980 174.830 176.000 -0.316 0.000 0.964 79 Q CA -0.319 55.367 55.803 -0.196 0.000 0.880 79 Q CB 1.434 30.047 28.738 -0.209 0.000 1.286 79 Q HN 0.628 nan 8.270 nan 0.000 0.445 80 R N 2.666 122.904 120.500 -0.437 0.000 2.407 80 R HA 0.530 4.870 4.340 -0.000 0.000 0.303 80 R C -1.053 174.887 176.300 -0.601 0.000 0.981 80 R CA -0.153 55.739 56.100 -0.347 0.000 0.905 80 R CB 0.664 30.859 30.300 -0.176 0.000 1.099 80 R HN 0.726 nan 8.270 nan 0.000 0.459 97 G N 0.216 109.032 108.800 0.026 0.000 2.355 97 G HA2 0.531 4.491 3.960 -0.000 0.000 0.296 97 G HA3 0.531 4.491 3.960 -0.000 0.000 0.296 97 G C -0.901 174.017 174.900 0.030 0.000 1.507 97 G CA -0.571 44.541 45.100 0.021 0.000 0.823 97 G HN 1.456 nan 8.290 nan 0.000 0.569 98 I N 0.780 121.361 120.570 0.018 0.000 2.471 98 I HA 0.555 4.725 4.170 -0.000 0.000 0.294 98 I C -1.000 175.132 176.117 0.025 0.000 1.123 98 I CA -0.249 61.061 61.300 0.017 0.000 1.336 98 I CB -0.133 37.869 38.000 0.003 0.000 1.430 98 I HN 0.360 nan 8.210 nan 0.000 0.533 99 L N 8.235 129.488 121.223 0.050 0.000 2.439 99 L HA 0.541 4.881 4.340 -0.000 0.000 0.270 99 L C -1.336 175.586 176.870 0.087 0.000 0.972 99 L CA -0.248 54.636 54.840 0.074 0.000 0.836 99 L CB 1.799 43.927 42.059 0.114 0.000 1.255 99 L HN 0.484 nan 8.230 nan 0.000 0.404 100 D N 4.450 124.877 120.400 0.045 0.000 2.481 100 D HA 0.434 5.074 4.640 -0.000 0.000 0.246 100 D C -1.082 175.244 176.300 0.043 0.000 1.109 100 D CA -0.142 53.876 54.000 0.031 0.000 0.845 100 D CB 2.685 43.475 40.800 -0.016 0.000 1.160 100 D HN 0.158 nan 8.370 nan 0.000 0.534 101 V N 3.718 123.702 119.914 0.116 0.000 2.378 101 V HA 0.276 4.396 4.120 -0.000 0.000 0.288 101 V C -0.315 175.867 176.094 0.147 0.000 1.016 101 V CA -0.865 61.514 62.300 0.131 0.000 0.840 101 V CB 1.346 33.287 31.823 0.197 0.000 0.994 101 V HN 0.369 nan 8.190 nan 0.000 0.431 102 F N 5.823 125.769 119.950 -0.007 0.000 2.404 102 F HA 0.677 5.204 4.527 -0.000 0.000 0.345 102 F C -0.152 175.678 175.800 0.051 0.000 1.110 102 F CA -0.206 57.806 58.000 0.021 0.000 1.130 102 F CB 1.292 40.304 39.000 0.021 0.000 1.129 102 F HN 0.264 nan 8.300 nan 0.000 0.500 103 V N 6.094 125.670 119.914 -0.563 0.000 2.588 103 V HA 0.437 4.557 4.120 -0.000 0.000 0.304 103 V C -0.860 174.941 176.094 -0.488 0.000 1.042 103 V CA -0.739 61.358 62.300 -0.339 0.000 0.877 103 V CB 1.617 33.337 31.823 -0.171 0.000 0.996 103 V HN 0.774 nan 8.190 nan 0.000 0.425 104 E N 5.223 125.304 120.200 -0.198 0.000 2.383 104 E HA 0.602 4.952 4.350 -0.000 0.000 0.275 104 E C -3.180 173.428 176.600 0.013 0.000 0.918 104 E CA -2.372 53.972 56.400 -0.092 0.000 0.764 104 E CB 3.087 32.835 29.700 0.080 0.000 1.252 104 E HN 0.383 nan 8.360 nan 0.000 0.449 105 P HA 0.156 nan 4.420 nan 0.000 0.281 105 P C -0.552 176.828 177.300 0.133 0.000 1.252 105 P CA -0.416 62.720 63.100 0.060 0.000 0.778 105 P CB 1.149 32.871 31.700 0.036 0.000 0.895 106 V N 3.747 123.763 119.914 0.171 0.000 2.487 106 V HA 0.618 4.738 4.120 -0.000 0.000 0.298 106 V C 0.281 176.540 176.094 0.274 0.000 1.028 106 V CA -0.061 62.412 62.300 0.288 0.000 0.860 106 V CB 1.463 33.482 31.823 0.326 0.000 0.991 106 V HN 0.891 nan 8.190 nan 0.000 0.427 107 S N 2.753 118.647 115.700 0.325 0.000 2.636 107 S HA 0.357 4.827 4.470 -0.000 0.000 0.268 107 S C 0.133 174.776 174.600 0.072 0.000 1.159 107 S CA -0.803 57.475 58.200 0.130 0.000 0.815 107 S CB 1.800 65.013 63.200 0.023 0.000 1.130 107 S HN 0.436 nan 8.310 nan 0.000 0.471 108 Q N 0.442 119.983 119.800 -0.431 0.000 2.234 108 Q HA -0.084 4.256 4.340 -0.000 0.000 0.206 108 Q C 1.895 177.871 176.000 -0.040 0.000 0.980 108 Q CA 1.768 57.310 55.803 -0.434 0.000 0.869 108 Q CB -0.208 28.105 28.738 -0.707 0.000 0.912 108 Q HN 0.684 nan 8.270 nan 0.000 0.436 109 K N -0.618 119.766 120.400 -0.027 0.000 2.044 109 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 109 K C 1.748 178.402 176.600 0.090 0.000 1.049 109 K CA 1.616 57.918 56.287 0.024 0.000 0.945 109 K CB 0.200 32.698 32.500 -0.004 0.000 0.724 109 K HN 0.117 nan 8.250 nan 0.000 0.440 110 T N -0.546 114.088 114.554 0.134 0.000 2.937 110 T HA 0.015 4.365 4.350 -0.000 0.000 0.260 110 T C 0.486 175.325 174.700 0.232 0.000 1.051 110 T CA 0.632 62.822 62.100 0.149 0.000 1.141 110 T CB 0.008 68.964 68.868 0.148 0.000 0.879 110 T HN 0.178 nan 8.240 nan 0.000 0.459 111 F N 2.204 122.281 119.950 0.211 0.000 2.622 111 F HA 0.310 4.836 4.527 -0.000 0.000 0.338 111 F C -2.409 173.625 175.800 0.390 0.000 1.334 111 F CA -2.762 55.382 58.000 0.240 0.000 1.179 111 F CB 1.808 40.935 39.000 0.213 0.000 1.471 111 F HN -0.015 nan 8.300 nan 0.000 0.576 112 P HA -0.147 nan 4.420 nan 0.000 0.222 112 P C 0.682 178.251 177.300 0.447 0.000 1.147 112 P CA 1.241 64.653 63.100 0.521 0.000 0.790 112 P CB 0.208 32.080 31.700 0.286 0.000 0.780 113 Q N -1.539 118.450 119.800 0.315 0.000 2.403 113 Q HA 0.073 4.413 4.340 -0.000 0.000 0.203 113 Q C 1.666 177.467 176.000 -0.333 0.000 0.932 113 Q CA 0.120 55.969 55.803 0.077 0.000 0.945 113 Q CB -0.704 28.144 28.738 0.184 0.000 1.045 113 Q HN 0.124 nan 8.270 nan 0.000 0.511 114 L N 0.180 120.913 121.223 -0.817 0.000 2.083 114 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 114 L C 1.923 178.057 176.870 -1.226 0.000 1.083 114 L CA 2.132 56.145 54.840 -1.378 0.000 0.752 114 L CB -1.014 39.900 42.059 -1.910 0.000 0.899 114 L HN 0.290 nan 8.230 nan 0.000 0.433 115 G N -1.061 106.827 108.800 -1.520 0.000 2.446 115 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 115 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 115 G C 1.618 176.292 174.900 -0.377 0.000 1.168 115 G CA 0.958 45.595 45.100 -0.772 0.000 0.771 115 G HN 0.619 nan 8.290 nan 0.000 0.551 116 A N 0.481 123.138 122.820 -0.272 0.000 1.933 116 A HA 0.048 4.367 4.320 -0.000 0.000 0.218 116 A C 2.423 179.915 177.584 -0.153 0.000 1.175 116 A CA 1.382 53.335 52.037 -0.139 0.000 0.628 116 A CB -0.330 18.639 19.000 -0.051 0.000 0.814 116 A HN 0.399 nan 8.150 nan 0.000 0.444 117 I N -1.061 119.357 120.570 -0.254 0.000 2.202 117 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 117 I C 2.700 178.632 176.117 -0.309 0.000 1.091 117 I CA 1.256 62.397 61.300 -0.265 0.000 1.368 117 I CB -0.313 37.472 38.000 -0.358 0.000 1.058 117 I HN 0.316 nan 8.210 nan 0.000 0.410 118 R N 1.240 121.518 120.500 -0.369 0.000 2.103 118 R HA -0.229 4.111 4.340 -0.000 0.000 0.242 118 R C 1.596 177.779 176.300 -0.195 0.000 1.142 118 R CA 2.244 58.163 56.100 -0.302 0.000 0.960 118 R CB -0.590 29.523 30.300 -0.313 0.000 0.858 118 R HN 0.345 nan 8.270 nan 0.000 0.439 119 D N 0.636 120.939 120.400 -0.162 0.000 2.144 119 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 119 D C 1.526 177.782 176.300 -0.072 0.000 0.978 119 D CA 0.999 54.941 54.000 -0.097 0.000 0.833 119 D CB -0.367 40.388 40.800 -0.076 0.000 0.961 119 D HN 0.268 nan 8.370 nan 0.000 0.470 120 D N 0.435 120.794 120.400 -0.069 0.000 2.117 120 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 120 D C 2.296 178.571 176.300 -0.042 0.000 0.987 120 D CA 0.507 54.494 54.000 -0.021 0.000 0.829 120 D CB -0.165 40.656 40.800 0.034 0.000 0.961 120 D HN 0.292 nan 8.370 nan 0.000 0.460 121 I N 0.952 121.461 120.570 -0.101 0.000 2.252 121 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 121 I C 2.253 178.336 176.117 -0.057 0.000 1.102 121 I CA 0.958 62.202 61.300 -0.093 0.000 1.385 121 I CB -0.250 37.638 38.000 -0.186 0.000 1.064 121 I HN -0.056 nan 8.210 nan 0.000 0.414 122 E N 1.086 121.246 120.200 -0.066 0.000 2.077 122 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 122 E C 1.906 178.490 176.600 -0.027 0.000 0.989 122 E CA 1.375 57.748 56.400 -0.045 0.000 0.800 122 E CB -0.138 29.532 29.700 -0.049 0.000 0.746 122 E HN 0.507 nan 8.360 nan 0.000 0.452 123 A N 0.125 122.930 122.820 -0.025 0.000 2.379 123 A HA 0.035 4.355 4.320 -0.000 0.000 0.236 123 A C 0.274 177.855 177.584 -0.005 0.000 1.272 123 A CA -0.072 51.957 52.037 -0.014 0.000 0.886 123 A CB 0.302 19.292 19.000 -0.017 0.000 0.962 123 A HN 0.090 nan 8.150 nan 0.000 0.504 124 Q N -1.243 118.556 119.800 -0.002 0.000 2.342 124 Q HA -0.204 4.136 4.340 -0.000 0.000 0.196 124 Q C 0.011 176.021 176.000 0.018 0.000 0.629 124 Q CA 1.711 57.519 55.803 0.008 0.000 1.365 124 Q CB -2.016 26.726 28.738 0.008 0.000 1.406 124 Q HN 0.992 nan 8.270 nan 0.000 0.840 125 R N 0.707 121.221 120.500 0.024 0.000 2.265 125 R HA 0.590 4.930 4.340 -0.000 0.000 0.314 125 R C -2.528 173.817 176.300 0.074 0.000 1.053 125 R CA -1.787 54.342 56.100 0.048 0.000 0.931 125 R CB 0.483 30.813 30.300 0.050 0.000 1.024 125 R HN -0.207 nan 8.270 nan 0.000 0.457 126 P HA 0.044 nan 4.420 nan 0.000 0.271 126 P C -0.847 176.483 177.300 0.050 0.000 1.216 126 P CA -0.435 62.700 63.100 0.057 0.000 0.776 126 P CB 1.146 32.866 31.700 0.034 0.000 0.881 127 V N 1.464 121.374 119.914 -0.006 0.000 3.048 127 V HA 0.784 4.904 4.120 -0.000 0.000 0.303 127 V C -1.654 174.422 176.094 -0.031 0.000 1.214 127 V CA -0.770 61.429 62.300 -0.169 0.000 0.984 127 V CB 2.079 33.763 31.823 -0.232 0.000 1.054 127 V HN 0.688 nan 8.190 nan 0.000 0.430 128 A N 4.706 127.460 122.820 -0.110 0.000 2.386 128 A HA 0.900 5.220 4.320 -0.000 0.000 0.311 128 A C -1.366 176.186 177.584 -0.054 0.000 1.068 128 A CA -0.575 51.420 52.037 -0.070 0.000 0.743 128 A CB 2.120 21.047 19.000 -0.122 0.000 1.258 128 A HN 1.177 nan 8.150 nan 0.000 0.429 129 V N 1.505 121.407 119.914 -0.021 0.000 2.357 129 V HA 0.634 4.754 4.120 -0.000 0.000 0.284 129 V C 0.395 176.417 176.094 -0.120 0.000 1.018 129 V CA -0.250 62.046 62.300 -0.007 0.000 0.841 129 V CB 1.248 33.162 31.823 0.152 0.000 0.991 129 V HN 1.190 nan 8.190 nan 0.000 0.437 130 A N 3.783 126.534 122.820 -0.115 0.000 2.273 130 A HA 0.735 5.055 4.320 -0.000 0.000 0.320 130 A C 0.192 177.702 177.584 -0.123 0.000 1.358 130 A CA -0.353 51.606 52.037 -0.130 0.000 0.910 130 A CB 0.336 19.276 19.000 -0.099 0.000 1.159 130 A HN 0.724 nan 8.150 nan 0.000 0.526 131 T N 1.951 116.429 114.554 -0.127 0.000 2.797 131 T HA 0.391 4.741 4.350 -0.000 0.000 0.279 131 T C -0.067 174.528 174.700 -0.176 0.000 0.991 131 T CA -0.419 61.582 62.100 -0.165 0.000 0.979 131 T CB 1.454 70.193 68.868 -0.216 0.000 0.943 131 T HN 0.329 nan 8.240 nan 0.000 0.444 132 V N 5.420 125.253 119.914 -0.135 0.000 2.415 132 V HA 0.101 4.221 4.120 -0.000 0.000 0.267 132 V C 1.581 177.595 176.094 -0.133 0.000 1.042 132 V CA 0.084 62.354 62.300 -0.051 0.000 1.000 132 V CB -0.512 31.343 31.823 0.053 0.000 1.015 132 V HN 0.871 nan 8.190 nan 0.000 0.478 133 I N 2.802 123.283 120.570 -0.149 0.000 2.731 133 I HA 0.193 4.363 4.170 -0.000 0.000 0.260 133 I C 0.846 177.048 176.117 0.143 0.000 1.138 133 I CA 0.524 61.735 61.300 -0.149 0.000 1.461 133 I CB 0.252 38.130 38.000 -0.203 0.000 1.128 133 I HN 0.625 nan 8.210 nan 0.000 0.438 134 T N -0.582 114.052 114.554 0.133 0.000 2.886 134 T HA 0.524 4.874 4.350 -0.000 0.000 0.292 134 T C -0.950 173.882 174.700 0.219 0.000 1.012 134 T CA -0.499 61.697 62.100 0.159 0.000 0.982 134 T CB 2.244 71.173 68.868 0.102 0.000 1.018 134 T HN 0.374 nan 8.240 nan 0.000 0.451 135 H N 2.341 121.451 119.070 0.068 0.000 3.085 135 H HA 0.280 4.836 4.556 -0.000 0.000 0.356 135 H C -2.248 173.052 175.328 -0.046 0.000 1.178 135 H CA -1.722 54.332 56.048 0.009 0.000 1.214 135 H CB 2.758 32.552 29.762 0.055 0.000 1.881 135 H HN 0.428 nan 8.280 nan 0.000 0.538 136 P HA -0.175 nan 4.420 nan 0.000 0.216 136 P C 0.367 177.542 177.300 -0.209 0.000 1.157 136 P CA 1.093 63.987 63.100 -0.344 0.000 0.880 136 P CB 0.109 31.548 31.700 -0.435 0.000 0.791 137 D N -0.539 119.726 120.400 -0.225 0.000 2.339 137 D HA 0.235 4.875 4.640 -0.000 0.000 0.256 137 D C 1.058 177.464 176.300 0.176 0.000 1.214 137 D CA -0.042 53.960 54.000 0.004 0.000 0.877 137 D CB 0.773 41.521 40.800 -0.086 0.000 1.111 137 D HN -0.014 nan 8.370 nan 0.000 0.478 138 A N 4.486 127.382 122.820 0.126 0.000 2.168 138 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 138 A C 1.810 179.508 177.584 0.190 0.000 1.152 138 A CA 0.643 52.769 52.037 0.149 0.000 0.716 138 A CB -0.194 18.862 19.000 0.092 0.000 0.794 138 A HN 0.622 nan 8.150 nan 0.000 0.465 139 Q N -1.623 118.315 119.800 0.231 0.000 2.364 139 Q HA -0.159 4.181 4.340 -0.000 0.000 0.207 139 Q C 1.128 177.318 176.000 0.317 0.000 0.970 139 Q CA 0.898 56.853 55.803 0.252 0.000 0.888 139 Q CB -0.126 28.774 28.738 0.270 0.000 0.951 139 Q HN 0.945 nan 8.270 nan 0.000 0.469 140 W N 0.364 121.676 121.300 0.020 0.000 2.812 140 W HA 0.126 4.786 4.660 -0.000 0.000 0.263 140 W C 0.636 177.142 176.519 -0.022 0.000 1.284 140 W CA -0.621 56.678 57.345 -0.076 0.000 1.430 140 W CB 0.256 29.525 29.460 -0.318 0.000 1.088 140 W HN -0.108 nan 8.180 nan 0.000 0.623 141 I N 1.686 122.420 120.570 0.272 0.000 2.741 141 I HA 0.051 4.221 4.170 -0.000 0.000 0.288 141 I C 1.609 177.859 176.117 0.222 0.000 1.192 141 I CA 1.558 63.006 61.300 0.246 0.000 1.426 141 I CB -0.871 37.286 38.000 0.261 0.000 1.367 141 I HN 0.446 nan 8.210 nan 0.000 0.563 142 G N 5.859 114.793 108.800 0.223 0.000 2.179 142 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 142 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 142 G C 0.606 175.519 174.900 0.021 0.000 0.977 142 G CA -0.244 44.992 45.100 0.227 0.000 0.641 142 G HN 0.603 nan 8.290 nan 0.000 0.533 143 R N 0.677 121.152 120.500 -0.042 0.000 2.590 143 R HA 0.527 4.867 4.340 -0.000 0.000 0.274 143 R C 0.992 177.191 176.300 -0.167 0.000 1.061 143 R CA 0.478 56.494 56.100 -0.141 0.000 1.081 143 R CB 0.360 30.520 30.300 -0.234 0.000 0.984 143 R HN 0.670 nan 8.270 nan 0.000 0.448 144 R N 2.101 122.483 120.500 -0.196 0.000 2.774 144 R HA 0.487 4.827 4.340 -0.000 0.000 0.272 144 R C -1.392 174.811 176.300 -0.162 0.000 1.000 144 R CA -0.921 55.064 56.100 -0.192 0.000 0.906 144 R CB 1.185 31.334 30.300 -0.252 0.000 1.227 144 R HN 0.323 nan 8.270 nan 0.000 0.468 145 L N 1.275 122.420 121.223 -0.129 0.000 2.334 145 L HA 0.578 4.918 4.340 -0.000 0.000 0.273 145 L C -0.630 176.204 176.870 -0.061 0.000 1.013 145 L CA -1.401 53.385 54.840 -0.090 0.000 0.816 145 L CB 2.328 44.334 42.059 -0.088 0.000 1.278 145 L HN 0.357 nan 8.230 nan 0.000 0.431 146 V N 3.305 123.205 119.914 -0.023 0.000 2.313 146 V HA 0.323 4.443 4.120 -0.000 0.000 0.278 146 V C -0.157 175.902 176.094 -0.058 0.000 1.017 146 V CA -0.578 61.712 62.300 -0.017 0.000 0.823 146 V CB 1.624 33.483 31.823 0.061 0.000 1.010 146 V HN 0.414 nan 8.190 nan 0.000 0.443 147 V N 5.109 124.942 119.914 -0.135 0.000 2.398 147 V HA 0.521 4.641 4.120 -0.000 0.000 0.286 147 V C -0.237 175.709 176.094 -0.247 0.000 1.026 147 V CA -0.596 61.638 62.300 -0.111 0.000 0.868 147 V CB 1.196 32.973 31.823 -0.077 0.000 0.982 147 V HN 0.899 nan 8.190 nan 0.000 0.443 148 H N 1.109 120.176 119.070 -0.005 0.000 2.713 148 H HA 0.390 4.946 4.556 -0.000 0.000 0.340 148 H C 1.465 176.788 175.328 -0.009 0.000 1.271 148 H CA 0.183 56.228 56.048 -0.005 0.000 1.306 148 H CB 1.346 31.104 29.762 -0.006 0.000 1.839 148 H HN 0.700 nan 8.280 nan 0.000 0.627 149 T N -2.532 112.104 114.554 0.137 0.000 2.788 149 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 149 T C 0.992 175.723 174.700 0.051 0.000 1.044 149 T CA 2.044 64.181 62.100 0.063 0.000 1.139 149 T CB -0.106 68.787 68.868 0.042 0.000 0.867 149 T HN 0.552 nan 8.240 nan 0.000 0.454 150 D N 0.402 120.837 120.400 0.058 0.000 2.650 150 D HA 0.306 4.946 4.640 -0.000 0.000 0.265 150 D C -0.329 175.985 176.300 0.023 0.000 1.339 150 D CA -0.395 53.621 54.000 0.026 0.000 0.816 150 D CB 0.310 41.113 40.800 0.006 0.000 1.091 150 D HN 0.560 nan 8.370 nan 0.000 0.483 151 E N -0.267 119.969 120.200 0.060 0.000 2.380 151 E HA 0.408 4.758 4.350 -0.000 0.000 0.281 151 E C -2.089 174.577 176.600 0.110 0.000 0.999 151 E CA -0.825 55.611 56.400 0.059 0.000 0.800 151 E CB 2.021 31.723 29.700 0.003 0.000 1.228 151 E HN -0.081 nan 8.360 nan 0.000 0.436 152 V N 1.562 121.520 119.914 0.073 0.000 2.808 152 V HA 0.894 5.014 4.120 -0.000 0.000 0.308 152 V C -1.661 174.460 176.094 0.045 0.000 1.099 152 V CA 0.025 62.361 62.300 0.060 0.000 0.920 152 V CB 1.688 33.519 31.823 0.014 0.000 1.014 152 V HN 0.801 nan 8.190 nan 0.000 0.425 153 A N 4.220 127.068 122.820 0.046 0.000 2.386 153 A HA 1.046 5.366 4.320 -0.000 0.000 0.311 153 A C 0.249 177.831 177.584 -0.004 0.000 1.068 153 A CA 0.094 52.149 52.037 0.030 0.000 0.743 153 A CB 1.410 20.448 19.000 0.064 0.000 1.258 153 A HN 2.711 nan 8.150 nan 0.000 0.429 154 G N -0.318 108.469 108.800 -0.023 0.000 2.655 154 G HA2 0.414 4.374 3.960 -0.000 0.000 0.680 154 G HA3 0.414 4.374 3.960 -0.000 0.000 0.680 154 G C -0.263 174.581 174.900 -0.094 0.000 1.302 154 G CA 0.044 45.109 45.100 -0.058 0.000 0.872 154 G HN 2.140 nan 8.290 nan 0.000 0.540 155 S N -1.395 114.221 115.700 -0.139 0.000 2.546 155 S HA 0.625 5.095 4.470 -0.000 0.000 0.272 155 S C 1.015 175.437 174.600 -0.297 0.000 1.140 155 S CA -0.214 57.871 58.200 -0.193 0.000 0.920 155 S CB 1.419 64.513 63.200 -0.177 0.000 1.083 155 S HN 1.002 nan 8.310 nan 0.000 0.476 156 L N 3.398 124.395 121.223 -0.377 0.000 2.341 156 L HA 0.322 4.662 4.340 -0.000 0.000 0.214 156 L C 1.843 178.026 176.870 -1.146 0.000 1.115 156 L CA 0.857 55.340 54.840 -0.594 0.000 0.820 156 L CB -0.245 41.536 42.059 -0.463 0.000 0.944 156 L HN 1.024 nan 8.230 nan 0.000 0.452 157 G N -0.570 107.703 108.800 -0.879 0.000 2.370 157 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.174 157 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.174 157 G C 0.147 174.826 174.900 -0.368 0.000 1.002 157 G CA 0.056 44.619 45.100 -0.895 0.000 0.730 157 G HN 0.327 nan 8.290 nan 0.000 0.497 158 S N -0.880 114.657 115.700 -0.271 0.000 2.537 158 S HA 0.671 5.141 4.470 -0.000 0.000 0.271 158 S C 0.935 175.506 174.600 -0.048 0.000 1.148 158 S CA 0.989 59.180 58.200 -0.014 0.000 0.868 158 S CB 1.268 64.603 63.200 0.225 0.000 1.115 158 S HN 1.245 nan 8.310 nan 0.000 0.461 159 S N 2.118 117.808 115.700 -0.016 0.000 2.383 159 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 159 S C 1.843 176.430 174.600 -0.021 0.000 1.026 159 S CA 1.492 59.677 58.200 -0.026 0.000 0.981 159 S CB -0.532 62.661 63.200 -0.011 0.000 0.818 159 S HN 0.745 nan 8.310 nan 0.000 0.472 160 R N 0.337 120.838 120.500 0.002 0.000 2.090 160 R HA 0.070 4.410 4.340 -0.000 0.000 0.228 160 R C 2.406 178.688 176.300 -0.030 0.000 1.110 160 R CA 1.183 57.283 56.100 -0.001 0.000 0.973 160 R CB -0.670 29.644 30.300 0.024 0.000 0.869 160 R HN 0.484 nan 8.270 nan 0.000 0.440 161 A N 1.226 124.035 122.820 -0.018 0.000 1.902 161 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 161 A C 1.576 179.072 177.584 -0.147 0.000 1.181 161 A CA 1.837 53.827 52.037 -0.078 0.000 0.623 161 A CB -0.458 18.573 19.000 0.050 0.000 0.818 161 A HN 0.355 nan 8.150 nan 0.000 0.443 162 D N 0.119 120.448 120.400 -0.118 0.000 2.097 162 D HA -0.049 4.591 4.640 -0.000 0.000 0.195 162 D C 2.281 178.528 176.300 -0.089 0.000 0.989 162 D CA 1.627 55.558 54.000 -0.115 0.000 0.827 162 D CB -0.516 40.222 40.800 -0.102 0.000 0.966 162 D HN 0.404 nan 8.370 nan 0.000 0.456 163 A N 0.922 123.703 122.820 -0.065 0.000 1.877 163 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 163 A C 2.285 179.846 177.584 -0.038 0.000 1.186 163 A CA 2.459 54.471 52.037 -0.041 0.000 0.620 163 A CB -0.763 18.222 19.000 -0.024 0.000 0.822 163 A HN 0.248 nan 8.150 nan 0.000 0.443 164 A N -0.841 121.943 122.820 -0.060 0.000 1.897 164 A HA 0.104 4.424 4.320 -0.000 0.000 0.215 164 A C 2.226 179.790 177.584 -0.034 0.000 1.181 164 A CA 1.544 53.561 52.037 -0.033 0.000 0.620 164 A CB -0.811 18.158 19.000 -0.052 0.000 0.821 164 A HN 0.347 nan 8.150 nan 0.000 0.443 165 V N -0.079 119.747 119.914 -0.147 0.000 2.295 165 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 165 V C 2.965 179.046 176.094 -0.022 0.000 1.049 165 V CA 2.494 64.742 62.300 -0.085 0.000 1.024 165 V CB -1.085 30.645 31.823 -0.154 0.000 0.648 165 V HN 0.759 nan 8.190 nan 0.000 0.447 166 T N -1.578 112.951 114.554 -0.041 0.000 2.915 166 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 166 T C 1.589 176.284 174.700 -0.008 0.000 1.071 166 T CA 1.724 63.808 62.100 -0.027 0.000 1.132 166 T CB -0.369 68.481 68.868 -0.030 0.000 0.878 166 T HN 0.434 nan 8.240 nan 0.000 0.479 167 D N 1.240 121.642 120.400 0.003 0.000 2.084 167 D HA -0.061 4.579 4.640 -0.000 0.000 0.194 167 D C 1.939 178.254 176.300 0.023 0.000 0.990 167 D CA 1.239 55.248 54.000 0.015 0.000 0.826 167 D CB -0.345 40.470 40.800 0.025 0.000 0.971 167 D HN 0.458 nan 8.370 nan 0.000 0.453 168 D N 0.001 120.431 120.400 0.051 0.000 2.117 168 D HA -0.053 4.587 4.640 -0.000 0.000 0.198 168 D C 1.932 178.245 176.300 0.021 0.000 0.982 168 D CA 1.122 55.156 54.000 0.058 0.000 0.828 168 D CB -0.351 40.529 40.800 0.134 0.000 0.967 168 D HN 0.152 nan 8.370 nan 0.000 0.464 169 A N 0.905 123.731 122.820 0.009 0.000 1.933 169 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 169 A C 2.202 179.762 177.584 -0.041 0.000 1.175 169 A CA 1.194 53.212 52.037 -0.032 0.000 0.628 169 A CB -0.392 18.579 19.000 -0.048 0.000 0.814 169 A HN 0.073 nan 8.150 nan 0.000 0.444 170 R N -0.914 119.571 120.500 -0.024 0.000 2.070 170 R HA -0.092 4.248 4.340 -0.000 0.000 0.233 170 R C 2.457 178.742 176.300 -0.025 0.000 1.137 170 R CA 1.299 57.386 56.100 -0.022 0.000 0.945 170 R CB -0.707 29.588 30.300 -0.009 0.000 0.845 170 R HN 0.526 nan 8.270 nan 0.000 0.430 171 G N 1.137 109.925 108.800 -0.020 0.000 2.491 171 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 171 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 171 G C 1.240 176.113 174.900 -0.044 0.000 1.180 171 G CA 0.550 45.634 45.100 -0.027 0.000 0.774 171 G HN 0.124 nan 8.290 nan 0.000 0.562 172 L N 0.199 121.396 121.223 -0.044 0.000 2.013 172 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 172 L C 2.722 179.548 176.870 -0.075 0.000 1.073 172 L CA 1.725 56.530 54.840 -0.059 0.000 0.753 172 L CB -0.880 41.144 42.059 -0.058 0.000 0.890 172 L HN 0.294 nan 8.230 nan 0.000 0.432 173 L N -0.579 120.601 121.223 -0.072 0.000 2.083 173 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 173 L C 2.431 179.266 176.870 -0.059 0.000 1.083 173 L CA 2.005 56.801 54.840 -0.074 0.000 0.752 173 L CB -0.939 41.081 42.059 -0.066 0.000 0.899 173 L HN 0.205 nan 8.230 nan 0.000 0.433 174 A N -0.537 122.254 122.820 -0.049 0.000 2.019 174 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 174 A C 2.234 179.782 177.584 -0.060 0.000 1.164 174 A CA 1.517 53.528 52.037 -0.043 0.000 0.644 174 A CB -0.911 18.068 19.000 -0.035 0.000 0.805 174 A HN 0.580 nan 8.150 nan 0.000 0.449 175 A N -1.965 120.806 122.820 -0.081 0.000 2.308 175 A HA 0.447 4.767 4.320 -0.000 0.000 0.217 175 A C 1.663 179.182 177.584 -0.108 0.000 1.216 175 A CA 1.023 52.992 52.037 -0.113 0.000 0.864 175 A CB -0.775 18.134 19.000 -0.151 0.000 0.902 175 A HN 1.819 nan 8.150 nan 0.000 0.499 176 G N -0.058 108.688 108.800 -0.090 0.000 2.198 176 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 176 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 176 G C 0.168 175.015 174.900 -0.089 0.000 1.025 176 G CA 0.387 45.432 45.100 -0.091 0.000 0.769 176 G HN 0.581 nan 8.290 nan 0.000 0.507 177 R N -0.184 120.266 120.500 -0.083 0.000 2.604 177 R HA 0.622 4.962 4.340 -0.000 0.000 0.287 177 R C -0.526 175.726 176.300 -0.081 0.000 0.970 177 R CA -0.446 55.625 56.100 -0.047 0.000 0.946 177 R CB 1.688 31.980 30.300 -0.014 0.000 1.127 177 R HN 0.176 nan 8.270 nan 0.000 0.473 178 S N 1.570 117.242 115.700 -0.047 0.000 2.473 178 S HA 0.440 4.910 4.470 -0.000 0.000 0.307 178 S C -0.640 174.010 174.600 0.085 0.000 1.094 178 S CA -0.754 57.401 58.200 -0.074 0.000 1.070 178 S CB 2.026 65.187 63.200 -0.065 0.000 1.019 178 S HN 0.505 nan 8.310 nan 0.000 0.480 179 E N 0.699 120.949 120.200 0.082 0.000 2.445 179 E HA 0.455 4.805 4.350 -0.000 0.000 0.279 179 E C -1.649 175.109 176.600 0.263 0.000 1.018 179 E CA -0.757 55.751 56.400 0.180 0.000 0.816 179 E CB 1.721 31.473 29.700 0.087 0.000 1.356 179 E HN 0.349 nan 8.360 nan 0.000 0.462 180 V N 2.625 122.665 119.914 0.209 0.000 2.311 180 V HA 0.350 4.470 4.120 -0.000 0.000 0.275 180 V C -0.476 175.656 176.094 0.063 0.000 1.022 180 V CA -0.551 61.853 62.300 0.174 0.000 0.830 180 V CB 0.227 32.118 31.823 0.114 0.000 1.012 180 V HN 0.396 nan 8.190 nan 0.000 0.452 181 L N 4.754 126.001 121.223 0.041 0.000 2.307 181 L HA 0.719 5.059 4.340 -0.000 0.000 0.282 181 L C 0.597 177.373 176.870 -0.156 0.000 1.051 181 L CA -0.234 54.546 54.840 -0.100 0.000 0.804 181 L CB 1.723 43.720 42.059 -0.103 0.000 1.197 181 L HN 0.724 nan 8.230 nan 0.000 0.431 182 T N -0.917 113.442 114.554 -0.324 0.000 2.885 182 T HA 0.728 5.078 4.350 -0.000 0.000 0.285 182 T C -0.770 173.664 174.700 -0.444 0.000 1.019 182 T CA -0.482 61.491 62.100 -0.211 0.000 1.010 182 T CB 1.273 70.096 68.868 -0.075 0.000 1.022 182 T HN 0.422 nan 8.240 nan 0.000 0.466 183 Y N -0.188 120.141 120.300 0.048 0.000 2.689 183 Y HA 0.657 5.207 4.550 -0.000 0.000 0.333 183 Y C 0.991 176.913 175.900 0.036 0.000 1.190 183 Y CA -1.397 56.730 58.100 0.046 0.000 1.063 183 Y CB 0.936 39.436 38.460 0.066 0.000 1.294 183 Y HN 1.020 nan 8.280 nan 0.000 0.466 184 G N 0.456 109.381 108.800 0.208 0.000 2.611 184 G HA2 0.261 4.221 3.960 -0.000 0.000 0.273 184 G HA3 0.261 4.221 3.960 -0.000 0.000 0.273 184 G C -1.859 173.087 174.900 0.077 0.000 1.305 184 G CA -1.066 44.089 45.100 0.092 0.000 1.010 184 G HN 0.449 nan 8.290 nan 0.000 0.509 185 P HA -0.004 nan 4.420 nan 0.000 0.234 185 P C 0.350 177.667 177.300 0.029 0.000 1.167 185 P CA 1.233 64.262 63.100 -0.118 0.000 0.763 185 P CB 0.507 32.045 31.700 -0.270 0.000 0.835 186 D N -1.361 119.075 120.400 0.060 0.000 2.636 186 D HA 0.169 4.809 4.640 -0.000 0.000 0.270 186 D C 0.683 177.042 176.300 0.098 0.000 1.430 186 D CA 0.128 54.190 54.000 0.103 0.000 0.796 186 D CB 0.288 41.130 40.800 0.070 0.000 1.117 186 D HN 0.107 nan 8.370 nan 0.000 0.480 187 G N 1.925 110.767 108.800 0.071 0.000 2.135 187 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.183 187 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.183 187 G C -0.001 174.954 174.900 0.092 0.000 1.004 187 G CA -0.406 44.672 45.100 -0.037 0.000 0.677 187 G HN 0.269 nan 8.290 nan 0.000 0.512 188 Q N 1.105 120.996 119.800 0.152 0.000 2.307 188 Q HA 0.470 4.810 4.340 -0.000 0.000 0.261 188 Q C 0.859 176.988 176.000 0.215 0.000 1.051 188 Q CA 0.042 55.932 55.803 0.144 0.000 0.911 188 Q CB 0.506 29.298 28.738 0.090 0.000 1.227 188 Q HN 0.471 nan 8.270 nan 0.000 0.418 189 R N 2.467 123.086 120.500 0.198 0.000 2.489 189 R HA 0.356 4.696 4.340 -0.000 0.000 0.287 189 R C 0.887 177.224 176.300 0.061 0.000 1.053 189 R CA 0.547 56.742 56.100 0.157 0.000 1.036 189 R CB 0.165 30.544 30.300 0.131 0.000 0.966 189 R HN 0.839 nan 8.270 nan 0.000 0.432 190 R N 0.620 121.122 120.500 0.004 0.000 3.954 190 R HA -0.144 4.196 4.340 -0.000 0.000 0.422 190 R C 0.552 176.855 176.300 0.005 0.000 1.091 190 R CA 1.215 57.306 56.100 -0.014 0.000 1.168 190 R CB -2.696 27.601 30.300 -0.005 0.000 1.752 190 R HN 0.968 nan 8.270 nan 0.000 0.547 191 G N -1.144 107.677 108.800 0.036 0.000 2.580 191 G HA2 0.550 4.510 3.960 -0.000 0.000 0.278 191 G HA3 0.550 4.510 3.960 -0.000 0.000 0.278 191 G C -0.143 174.777 174.900 0.033 0.000 1.212 191 G CA 0.254 45.379 45.100 0.042 0.000 0.939 191 G HN 0.686 nan 8.290 nan 0.000 0.513 192 E N -2.145 118.068 120.200 0.022 0.000 2.429 192 E HA 0.562 4.912 4.350 -0.000 0.000 0.276 192 E C 0.389 176.988 176.600 -0.002 0.000 0.953 192 E CA -0.114 56.293 56.400 0.013 0.000 0.787 192 E CB 2.143 31.840 29.700 -0.006 0.000 1.307 192 E HN 0.876 nan 8.360 nan 0.000 0.458 193 G N 0.988 109.786 108.800 -0.003 0.000 2.797 193 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.195 193 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.195 193 G C -0.210 174.679 174.900 -0.019 0.000 1.026 193 G CA 0.021 45.092 45.100 -0.048 0.000 0.759 193 G HN 0.392 nan 8.290 nan 0.000 0.475 194 M N 1.818 121.471 119.600 0.087 0.000 2.311 194 M HA 0.737 5.217 4.480 -0.000 0.000 0.325 194 M C -1.386 175.053 176.300 0.232 0.000 1.061 194 M CA -0.471 54.962 55.300 0.221 0.000 0.957 194 M CB 1.659 34.502 32.600 0.405 0.000 1.646 194 M HN 0.142 nan 8.290 nan 0.000 0.434 195 E N 3.191 123.507 120.200 0.195 0.000 2.187 195 E HA 0.527 4.877 4.350 -0.000 0.000 0.268 195 E C -1.589 175.109 176.600 0.165 0.000 0.896 195 E CA -0.868 55.628 56.400 0.160 0.000 0.766 195 E CB 3.239 32.994 29.700 0.091 0.000 1.142 195 E HN 0.537 nan 8.360 nan 0.000 0.408 196 V N 4.612 124.642 119.914 0.193 0.000 2.487 196 V HA 0.413 4.533 4.120 -0.000 0.000 0.298 196 V C -1.383 174.800 176.094 0.149 0.000 1.028 196 V CA -0.735 61.650 62.300 0.142 0.000 0.860 196 V CB 0.934 32.849 31.823 0.154 0.000 0.991 196 V HN 0.614 nan 8.190 nan 0.000 0.427 197 F N 7.145 127.046 119.950 -0.080 0.000 2.424 197 F HA 0.578 5.105 4.527 -0.000 0.000 0.356 197 F C -0.105 175.658 175.800 -0.061 0.000 1.110 197 F CA -0.441 57.513 58.000 -0.076 0.000 1.161 197 F CB 1.298 40.229 39.000 -0.115 0.000 1.115 197 F HN 0.317 nan 8.300 nan 0.000 0.507 198 V N 6.148 125.722 119.914 -0.565 0.000 2.318 198 V HA 0.204 4.324 4.120 -0.000 0.000 0.271 198 V C 0.030 175.547 176.094 -0.960 0.000 1.030 198 V CA -0.511 61.446 62.300 -0.573 0.000 0.844 198 V CB 0.888 32.556 31.823 -0.258 0.000 1.015 198 V HN 0.803 nan 8.190 nan 0.000 0.460 199 S N 4.125 119.275 115.700 -0.916 0.000 2.411 199 S HA 0.415 4.885 4.470 -0.000 0.000 0.294 199 S C 0.196 174.447 174.600 -0.581 0.000 1.115 199 S CA -0.332 57.404 58.200 -0.772 0.000 1.071 199 S CB 0.472 63.381 63.200 -0.485 0.000 0.967 199 S HN 0.728 nan 8.310 nan 0.000 0.488 200 S N 4.237 119.598 115.700 -0.565 0.000 2.508 200 S HA 0.471 4.941 4.470 -0.000 0.000 0.284 200 S C -1.244 173.003 174.600 -0.588 0.000 1.192 200 S CA -0.384 57.563 58.200 -0.421 0.000 1.070 200 S CB 0.463 63.515 63.200 -0.247 0.000 1.004 200 S HN 0.723 nan 8.310 nan 0.000 0.493 201 Y N 1.305 121.551 120.300 -0.089 0.000 2.837 201 Y HA 0.507 5.057 4.550 -0.000 0.000 0.356 201 Y C 0.376 176.240 175.900 -0.061 0.000 1.035 201 Y CA -0.753 57.306 58.100 -0.069 0.000 1.165 201 Y CB 0.297 38.715 38.460 -0.070 0.000 1.147 201 Y HN 0.716 nan 8.280 nan 0.000 0.628 202 A N 3.330 126.162 122.820 0.021 0.000 2.310 202 A HA 0.699 5.019 4.320 -0.000 0.000 0.299 202 A C -2.163 175.425 177.584 0.007 0.000 1.147 202 A CA -1.564 50.475 52.037 0.004 0.000 0.818 202 A CB 0.230 19.209 19.000 -0.035 0.000 1.096 202 A HN 0.340 nan 8.150 nan 0.000 0.495 203 P HA 0.171 nan 4.420 nan 0.000 0.272 203 P C -0.516 176.771 177.300 -0.022 0.000 1.230 203 P CA -0.304 62.797 63.100 0.002 0.000 0.788 203 P CB 0.428 32.133 31.700 0.008 0.000 0.949 204 R N 1.692 122.176 120.500 -0.026 0.000 2.583 204 R HA 0.098 4.438 4.340 -0.000 0.000 0.274 204 R C -1.566 174.703 176.300 -0.050 0.000 0.998 204 R CA -0.666 55.400 56.100 -0.057 0.000 1.081 204 R CB -0.767 29.511 30.300 -0.037 0.000 0.940 204 R HN 0.472 nan 8.270 nan 0.000 0.413 205 P HA 0.058 nan 4.420 nan 0.000 0.274 205 P C -1.022 176.351 177.300 0.121 0.000 1.246 205 P CA -0.209 62.870 63.100 -0.035 0.000 0.795 205 P CB 0.618 32.220 31.700 -0.164 0.000 1.006 206 R N 0.971 121.593 120.500 0.204 0.000 2.589 206 R HA 0.696 5.036 4.340 -0.000 0.000 0.293 206 R C -0.282 176.153 176.300 0.225 0.000 0.963 206 R CA -0.950 55.278 56.100 0.213 0.000 0.905 206 R CB 1.182 31.550 30.300 0.114 0.000 1.144 206 R HN 0.447 nan 8.270 nan 0.000 0.459 207 M N 4.183 123.847 119.600 0.106 0.000 2.149 207 M HA 0.328 4.808 4.480 -0.000 0.000 0.342 207 M C -1.442 174.792 176.300 -0.110 0.000 1.068 207 M CA -0.722 54.521 55.300 -0.094 0.000 0.991 207 M CB 1.062 33.509 32.600 -0.255 0.000 1.596 207 M HN 0.570 nan 8.290 nan 0.000 0.439 208 L N 6.245 127.397 121.223 -0.118 0.000 2.262 208 L HA 0.484 4.824 4.340 -0.000 0.000 0.288 208 L C -0.885 175.730 176.870 -0.424 0.000 1.035 208 L CA -0.895 53.771 54.840 -0.289 0.000 0.820 208 L CB 1.214 43.182 42.059 -0.152 0.000 1.204 208 L HN 0.405 nan 8.230 nan 0.000 0.424 209 V N 3.777 123.358 119.914 -0.555 0.000 2.370 209 V HA 0.373 4.493 4.120 -0.000 0.000 0.283 209 V C -0.382 175.345 176.094 -0.612 0.000 1.023 209 V CA -0.330 61.704 62.300 -0.444 0.000 0.857 209 V CB 1.180 32.785 31.823 -0.364 0.000 0.985 209 V HN 0.354 nan 8.190 nan 0.000 0.443 210 F N 2.670 122.568 119.950 -0.087 0.000 2.388 210 F HA 0.767 5.294 4.527 -0.000 0.000 0.358 210 F C 0.763 176.510 175.800 -0.088 0.000 1.122 210 F CA -0.456 57.491 58.000 -0.088 0.000 1.056 210 F CB 1.797 40.780 39.000 -0.027 0.000 1.155 210 F HN 0.745 nan 8.300 nan 0.000 0.461 211 G N 2.086 110.897 108.800 0.018 0.000 3.199 211 G HA2 0.266 4.226 3.960 -0.000 0.000 0.680 211 G HA3 0.266 4.226 3.960 -0.000 0.000 0.680 211 G C -0.410 174.432 174.900 -0.096 0.000 1.197 211 G CA -0.683 44.383 45.100 -0.056 0.000 1.143 211 G HN 1.077 nan 8.290 nan 0.000 0.492 212 A N 3.605 126.367 122.820 -0.098 0.000 3.135 212 A HA 0.597 4.917 4.320 -0.000 0.000 0.253 212 A C 1.226 178.957 177.584 0.244 0.000 1.638 212 A CA 0.187 52.262 52.037 0.064 0.000 1.295 212 A CB -0.849 18.309 19.000 0.263 0.000 1.106 212 A HN 1.635 nan 8.150 nan 0.000 0.648 213 I N -3.328 117.306 120.570 0.105 0.000 2.764 213 I HA 0.307 4.477 4.170 -0.000 0.000 0.294 213 I C 0.448 176.771 176.117 0.344 0.000 1.045 213 I CA -0.711 60.681 61.300 0.153 0.000 1.340 213 I CB 0.452 38.507 38.000 0.091 0.000 1.436 213 I HN 0.184 nan 8.210 nan 0.000 0.567 214 D N 2.095 122.688 120.400 0.322 0.000 2.239 214 D HA -0.257 4.383 4.640 -0.000 0.000 0.202 214 D C 1.450 177.929 176.300 0.299 0.000 0.993 214 D CA 1.645 55.811 54.000 0.276 0.000 0.874 214 D CB -0.292 40.625 40.800 0.194 0.000 0.922 214 D HN 0.697 nan 8.370 nan 0.000 0.464 215 F N 1.093 121.127 119.950 0.141 0.000 2.365 215 F HA 0.034 4.561 4.527 -0.000 0.000 0.300 215 F C 2.104 177.960 175.800 0.095 0.000 1.090 215 F CA 0.743 58.802 58.000 0.099 0.000 1.408 215 F CB -0.202 38.837 39.000 0.066 0.000 1.060 215 F HN -0.044 nan 8.300 nan 0.000 0.534 216 A N 0.519 123.319 122.820 -0.033 0.000 1.972 216 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 216 A C 2.443 179.896 177.584 -0.219 0.000 1.169 216 A CA 1.506 53.395 52.037 -0.245 0.000 0.635 216 A CB -1.425 17.393 19.000 -0.305 0.000 0.810 216 A HN 0.466 nan 8.150 nan 0.000 0.446 217 A N -0.238 122.637 122.820 0.092 0.000 1.972 217 A HA 0.193 4.513 4.320 -0.000 0.000 0.219 217 A C 2.423 179.992 177.584 -0.025 0.000 1.169 217 A CA 1.857 53.986 52.037 0.154 0.000 0.635 217 A CB -0.774 18.395 19.000 0.281 0.000 0.810 217 A HN 0.971 nan 8.150 nan 0.000 0.446 218 A N -0.616 122.127 122.820 -0.128 0.000 1.897 218 A HA 0.072 4.392 4.320 -0.000 0.000 0.215 218 A C 2.199 179.642 177.584 -0.235 0.000 1.181 218 A CA 1.589 53.530 52.037 -0.161 0.000 0.620 218 A CB -0.780 18.134 19.000 -0.144 0.000 0.821 218 A HN 0.339 nan 8.150 nan 0.000 0.443 219 V N -0.017 119.647 119.914 -0.416 0.000 2.307 219 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 219 V C 3.067 179.040 176.094 -0.202 0.000 1.045 219 V CA 1.856 63.956 62.300 -0.333 0.000 1.024 219 V CB -1.251 30.318 31.823 -0.423 0.000 0.651 219 V HN 0.596 nan 8.190 nan 0.000 0.449 220 A N -0.930 121.772 122.820 -0.197 0.000 1.908 220 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 220 A C 2.191 179.748 177.584 -0.044 0.000 1.181 220 A CA 2.158 54.117 52.037 -0.129 0.000 0.627 220 A CB -0.498 18.420 19.000 -0.138 0.000 0.818 220 A HN 0.630 nan 8.150 nan 0.000 0.445 221 Q N -1.278 118.504 119.800 -0.029 0.000 2.079 221 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 221 Q C 2.329 178.364 176.000 0.058 0.000 0.974 221 Q CA 1.270 57.083 55.803 0.017 0.000 0.840 221 Q CB -0.129 28.607 28.738 -0.003 0.000 0.898 221 Q HN 0.598 nan 8.270 nan 0.000 0.430 222 Q N -0.581 119.232 119.800 0.023 0.000 2.167 222 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 222 Q C 2.054 178.131 176.000 0.129 0.000 0.970 222 Q CA 1.505 57.356 55.803 0.081 0.000 0.855 222 Q CB -0.369 28.376 28.738 0.013 0.000 0.911 222 Q HN 0.473 nan 8.270 nan 0.000 0.438 223 G N 0.629 109.456 108.800 0.044 0.000 2.404 223 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 223 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 223 G C 1.565 176.582 174.900 0.195 0.000 1.174 223 G CA 1.172 46.306 45.100 0.058 0.000 0.780 223 G HN 0.448 nan 8.290 nan 0.000 0.537 224 A N 0.731 123.633 122.820 0.137 0.000 1.851 224 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 224 A C 2.202 179.885 177.584 0.166 0.000 1.195 224 A CA 1.822 53.941 52.037 0.137 0.000 0.622 224 A CB -0.837 18.226 19.000 0.105 0.000 0.831 224 A HN 0.444 nan 8.150 nan 0.000 0.444 225 F N 0.359 120.337 119.950 0.048 0.000 2.184 225 F HA -0.158 4.369 4.527 -0.000 0.000 0.301 225 F C 1.668 177.503 175.800 0.059 0.000 1.076 225 F CA 1.655 59.680 58.000 0.042 0.000 1.295 225 F CB -0.148 38.870 39.000 0.029 0.000 1.026 225 F HN 0.139 nan 8.300 nan 0.000 0.494 226 L N -0.660 120.599 121.223 0.060 0.000 2.591 226 L HA 0.191 4.531 4.340 -0.000 0.000 0.228 226 L C 1.740 178.581 176.870 -0.048 0.000 1.133 226 L CA 0.724 55.568 54.840 0.007 0.000 0.880 226 L CB -0.724 41.488 42.059 0.255 0.000 1.033 226 L HN 0.460 nan 8.230 nan 0.000 0.450 227 G N -1.377 107.401 108.800 -0.036 0.000 2.176 227 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.232 227 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.232 227 G C 0.030 174.859 174.900 -0.117 0.000 0.986 227 G CA -0.468 44.566 45.100 -0.111 0.000 0.643 227 G HN 0.241 nan 8.290 nan 0.000 0.522 228 Y N 0.543 120.831 120.300 -0.019 0.000 2.326 228 Y HA 0.532 5.082 4.550 -0.000 0.000 0.333 228 Y C 1.293 177.186 175.900 -0.012 0.000 1.240 228 Y CA -0.347 57.744 58.100 -0.014 0.000 1.365 228 Y CB 0.611 39.061 38.460 -0.016 0.000 1.289 228 Y HN 0.037 nan 8.280 nan 0.000 0.548 229 R N 2.433 123.025 120.500 0.153 0.000 2.196 229 R HA 0.375 4.715 4.340 -0.000 0.000 0.340 229 R C -1.634 174.708 176.300 0.071 0.000 1.043 229 R CA -0.369 55.781 56.100 0.084 0.000 0.883 229 R CB 0.339 30.672 30.300 0.056 0.000 1.078 229 R HN 0.515 nan 8.270 nan 0.000 0.462 230 V N 4.217 124.147 119.914 0.026 0.000 2.407 230 V HA 0.234 4.354 4.120 -0.000 0.000 0.278 230 V C 0.257 176.299 176.094 -0.087 0.000 1.037 230 V CA -0.391 61.884 62.300 -0.042 0.000 0.900 230 V CB 1.619 33.398 31.823 -0.073 0.000 0.983 230 V HN 0.703 nan 8.190 nan 0.000 0.459 231 T N 4.650 119.121 114.554 -0.139 0.000 2.758 231 T HA 0.515 4.865 4.350 -0.000 0.000 0.285 231 T C -0.233 174.238 174.700 -0.382 0.000 0.981 231 T CA -0.368 61.604 62.100 -0.213 0.000 0.965 231 T CB 1.473 70.247 68.868 -0.157 0.000 0.927 231 T HN 0.357 nan 8.240 nan 0.000 0.448 232 V N 2.931 122.607 119.914 -0.397 0.000 2.394 232 V HA 0.513 4.633 4.120 -0.000 0.000 0.282 232 V C 0.101 175.928 176.094 -0.445 0.000 1.031 232 V CA -0.764 61.234 62.300 -0.502 0.000 0.881 232 V CB 1.214 32.639 31.823 -0.663 0.000 0.982 232 V HN 1.080 nan 8.190 nan 0.000 0.451 233 C N 4.540 123.564 119.300 -0.460 0.000 2.482 233 C HA 0.828 5.288 4.460 -0.000 0.000 0.317 233 C C -1.200 173.728 174.990 -0.104 0.000 1.197 233 C CA -0.159 58.681 59.018 -0.297 0.000 1.432 233 C CB 1.031 28.562 27.740 -0.349 0.000 2.062 233 C HN 1.007 nan 8.230 nan 0.000 0.471 234 D N 2.002 122.335 120.400 -0.112 0.000 2.655 234 D HA 0.576 5.216 4.640 -0.000 0.000 0.229 234 D C 0.348 176.504 176.300 -0.239 0.000 1.229 234 D CA -0.002 53.894 54.000 -0.174 0.000 0.807 234 D CB 2.306 43.033 40.800 -0.122 0.000 1.514 234 D HN 0.661 nan 8.370 nan 0.000 0.444 235 A N 2.111 124.617 122.820 -0.522 0.000 2.119 235 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 235 A C 0.845 178.285 177.584 -0.240 0.000 1.153 235 A CA 0.765 52.478 52.037 -0.540 0.000 0.692 235 A CB -0.060 18.171 19.000 -1.281 0.000 0.799 235 A HN 0.379 nan 8.150 nan 0.000 0.458 236 R N 0.312 120.723 120.500 -0.148 0.000 2.207 236 R HA 0.267 4.607 4.340 -0.000 0.000 0.334 236 R C -1.866 174.497 176.300 0.105 0.000 1.013 236 R CA -1.829 54.303 56.100 0.054 0.000 0.858 236 R CB 1.150 31.590 30.300 0.235 0.000 1.094 236 R HN 0.177 nan 8.270 nan 0.000 0.457 237 P HA -0.105 nan 4.420 nan 0.000 0.221 237 P C 1.015 178.341 177.300 0.043 0.000 1.150 237 P CA 0.828 63.963 63.100 0.059 0.000 0.800 237 P CB 0.295 32.021 31.700 0.043 0.000 0.787 238 V N -1.292 118.631 119.914 0.015 0.000 2.490 238 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 238 V C 2.349 178.359 176.094 -0.141 0.000 1.061 238 V CA 1.646 63.891 62.300 -0.092 0.000 1.064 238 V CB -1.393 30.326 31.823 -0.173 0.000 0.670 238 V HN -0.075 nan 8.190 nan 0.000 0.461 239 F N 0.677 120.630 119.950 0.005 0.000 2.147 239 F HA 0.289 4.816 4.527 -0.000 0.000 0.291 239 F C 1.899 177.753 175.800 0.091 0.000 1.093 239 F CA 0.765 58.784 58.000 0.032 0.000 1.263 239 F CB -0.461 38.568 39.000 0.048 0.000 1.036 239 F HN 0.033 nan 8.300 nan 0.000 0.481 240 A N 0.945 123.937 122.820 0.287 0.000 3.056 240 A HA 0.432 4.752 4.320 -0.000 0.000 0.274 240 A C 0.127 177.808 177.584 0.161 0.000 1.661 240 A CA 0.070 52.257 52.037 0.250 0.000 1.363 240 A CB -1.498 17.573 19.000 0.118 0.000 1.139 240 A HN 0.242 nan 8.150 nan 0.000 0.598 241 T N -2.484 112.157 114.554 0.144 0.000 2.908 241 T HA 0.462 4.812 4.350 -0.000 0.000 0.290 241 T C 1.159 175.912 174.700 0.087 0.000 1.034 241 T CA 0.146 62.285 62.100 0.065 0.000 1.010 241 T CB 1.269 70.130 68.868 -0.012 0.000 1.068 241 T HN 0.530 nan 8.240 nan 0.000 0.481 242 T N -0.233 114.361 114.554 0.066 0.000 2.915 242 T HA -0.019 4.331 4.350 -0.000 0.000 0.269 242 T C 2.304 177.013 174.700 0.015 0.000 1.071 242 T CA 0.849 62.990 62.100 0.069 0.000 1.132 242 T CB -0.758 68.138 68.868 0.045 0.000 0.878 242 T HN 0.857 nan 8.240 nan 0.000 0.479 243 A N 1.977 124.780 122.820 -0.028 0.000 1.972 243 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 243 A C 2.561 180.065 177.584 -0.132 0.000 1.169 243 A CA 1.135 53.134 52.037 -0.063 0.000 0.635 243 A CB -0.497 18.466 19.000 -0.062 0.000 0.810 243 A HN 0.531 nan 8.150 nan 0.000 0.446 244 R N -2.223 118.133 120.500 -0.240 0.000 2.140 244 R HA 0.124 4.464 4.340 -0.000 0.000 0.213 244 R C -0.639 175.244 176.300 -0.695 0.000 1.059 244 R CA 0.442 56.234 56.100 -0.513 0.000 1.000 244 R CB 0.104 29.969 30.300 -0.726 0.000 0.910 244 R HN 0.489 nan 8.270 nan 0.000 0.455 245 F N 1.316 121.261 119.950 -0.008 0.000 2.453 245 F HA 0.321 4.848 4.527 -0.000 0.000 0.358 245 F C -1.704 174.086 175.800 -0.017 0.000 1.129 245 F CA -2.683 55.307 58.000 -0.017 0.000 1.200 245 F CB 1.481 40.463 39.000 -0.030 0.000 1.431 245 F HN -0.155 nan 8.300 nan 0.000 0.503 246 P HA -0.050 nan 4.420 nan 0.000 0.221 246 P C 1.345 178.685 177.300 0.066 0.000 1.155 246 P CA 1.126 64.263 63.100 0.061 0.000 0.812 246 P CB 0.244 31.959 31.700 0.026 0.000 0.801 247 T N -0.044 114.557 114.554 0.078 0.000 2.995 247 T HA 0.114 4.464 4.350 -0.000 0.000 0.269 247 T C 1.153 175.884 174.700 0.052 0.000 1.091 247 T CA 0.606 62.743 62.100 0.061 0.000 1.128 247 T CB -0.553 68.350 68.868 0.058 0.000 0.891 247 T HN 0.144 nan 8.240 nan 0.000 0.492 248 A N 1.439 124.298 122.820 0.065 0.000 2.488 248 A HA 0.163 4.483 4.320 -0.000 0.000 0.249 248 A C 1.133 178.728 177.584 0.018 0.000 1.083 248 A CA -0.218 51.830 52.037 0.018 0.000 0.768 248 A CB 0.022 19.021 19.000 -0.002 0.000 1.017 248 A HN 0.319 nan 8.150 nan 0.000 0.496 249 D N 0.833 121.234 120.400 0.002 0.000 2.144 249 D HA -0.059 4.581 4.640 -0.000 0.000 0.200 249 D C 0.545 176.849 176.300 0.006 0.000 0.978 249 D CA 1.684 55.690 54.000 0.011 0.000 0.833 249 D CB 0.281 41.089 40.800 0.014 0.000 0.961 249 D HN 0.712 nan 8.370 nan 0.000 0.470 250 E N -0.398 119.792 120.200 -0.017 0.000 2.281 250 E HA 0.334 4.684 4.350 -0.000 0.000 0.266 250 E C -1.769 174.792 176.600 -0.064 0.000 0.893 250 E CA -0.598 55.788 56.400 -0.023 0.000 0.798 250 E CB 1.856 31.548 29.700 -0.013 0.000 1.245 250 E HN -0.196 nan 8.360 nan 0.000 0.410 251 V N 4.518 124.413 119.914 -0.032 0.000 2.357 251 V HA 0.441 4.561 4.120 -0.000 0.000 0.284 251 V C -0.270 175.793 176.094 -0.050 0.000 1.018 251 V CA -0.690 61.588 62.300 -0.036 0.000 0.841 251 V CB 1.458 33.327 31.823 0.076 0.000 0.991 251 V HN 0.447 nan 8.190 nan 0.000 0.437 252 V N 5.336 125.175 119.914 -0.125 0.000 2.680 252 V HA 0.501 4.621 4.120 -0.000 0.000 0.309 252 V C -0.353 175.680 176.094 -0.102 0.000 1.052 252 V CA -0.613 61.602 62.300 -0.141 0.000 0.908 252 V CB 2.552 34.177 31.823 -0.329 0.000 1.001 252 V HN 0.600 nan 8.190 nan 0.000 0.431 253 V N 4.116 124.008 119.914 -0.036 0.000 2.311 253 V HA 0.625 4.745 4.120 -0.000 0.000 0.275 253 V C -0.604 175.508 176.094 0.029 0.000 1.022 253 V CA -0.128 62.168 62.300 -0.005 0.000 0.830 253 V CB 1.155 32.994 31.823 0.027 0.000 1.012 253 V HN 0.930 nan 8.190 nan 0.000 0.452 254 D N 2.765 123.180 120.400 0.024 0.000 2.663 254 D HA 0.260 4.900 4.640 -0.000 0.000 0.233 254 D C -1.350 175.025 176.300 0.125 0.000 1.240 254 D CA -0.611 53.466 54.000 0.129 0.000 0.774 254 D CB 1.642 42.539 40.800 0.162 0.000 1.443 254 D HN 0.262 nan 8.370 nan 0.000 0.441 255 W N 2.970 124.258 121.300 -0.019 0.000 2.489 255 W HA 0.205 4.865 4.660 -0.000 0.000 0.327 255 W C -1.397 175.120 176.519 -0.004 0.000 1.436 255 W CA -1.225 56.123 57.345 0.006 0.000 1.315 255 W CB 0.055 29.565 29.460 0.084 0.000 1.373 255 W HN 0.363 nan 8.180 nan 0.000 0.557 256 P HA -0.314 nan 4.420 nan 0.000 0.216 256 P C 1.760 178.990 177.300 -0.116 0.000 1.153 256 P CA 2.517 65.607 63.100 -0.017 0.000 0.858 256 P CB -0.059 31.552 31.700 -0.149 0.000 0.789 257 H N -0.836 118.228 119.070 -0.010 0.000 2.389 257 H HA 0.039 4.595 4.556 -0.000 0.000 0.299 257 H C 1.889 177.256 175.328 0.064 0.000 1.081 257 H CA 1.181 57.227 56.048 -0.004 0.000 1.345 257 H CB -0.779 29.028 29.762 0.075 0.000 1.393 257 H HN 0.069 nan 8.280 nan 0.000 0.520 258 R N -0.366 119.747 120.500 -0.645 0.000 2.092 258 R HA -0.128 4.212 4.340 -0.000 0.000 0.231 258 R C 2.219 178.477 176.300 -0.070 0.000 1.119 258 R CA 1.236 57.108 56.100 -0.381 0.000 0.970 258 R CB -0.353 29.735 30.300 -0.353 0.000 0.864 258 R HN 0.343 nan 8.270 nan 0.000 0.440 259 Y N 0.956 121.227 120.300 -0.049 0.000 2.200 259 Y HA -0.217 4.333 4.550 -0.000 0.000 0.290 259 Y C 2.027 177.977 175.900 0.082 0.000 1.137 259 Y CA 1.386 59.523 58.100 0.061 0.000 1.163 259 Y CB -0.207 38.364 38.460 0.184 0.000 0.988 259 Y HN 0.002 nan 8.280 nan 0.000 0.518 260 L N 0.527 121.807 121.223 0.096 0.000 2.056 260 L HA 0.003 4.343 4.340 -0.000 0.000 0.207 260 L C 2.397 179.241 176.870 -0.044 0.000 1.078 260 L CA 2.069 56.941 54.840 0.054 0.000 0.749 260 L CB -1.167 40.915 42.059 0.039 0.000 0.901 260 L HN 0.219 nan 8.230 nan 0.000 0.433 261 A N -0.310 122.482 122.820 -0.046 0.000 1.933 261 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 261 A C 2.455 179.996 177.584 -0.072 0.000 1.175 261 A CA 1.662 53.675 52.037 -0.040 0.000 0.628 261 A CB -1.145 17.843 19.000 -0.020 0.000 0.814 261 A HN 0.582 nan 8.150 nan 0.000 0.444 262 A N -1.014 121.736 122.820 -0.117 0.000 1.933 262 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 262 A C 2.098 179.583 177.584 -0.165 0.000 1.175 262 A CA 1.669 53.622 52.037 -0.140 0.000 0.628 262 A CB -0.434 18.465 19.000 -0.169 0.000 0.814 262 A HN 0.493 nan 8.150 nan 0.000 0.444 263 Q N -0.418 119.243 119.800 -0.233 0.000 2.119 263 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 263 Q C 2.395 178.347 176.000 -0.080 0.000 0.972 263 Q CA 1.546 57.240 55.803 -0.181 0.000 0.847 263 Q CB -0.819 27.801 28.738 -0.196 0.000 0.903 263 Q HN 0.663 nan 8.270 nan 0.000 0.433 264 A N 1.330 124.116 122.820 -0.057 0.000 1.902 264 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 264 A C 2.011 179.578 177.584 -0.030 0.000 1.181 264 A CA 1.489 53.510 52.037 -0.027 0.000 0.623 264 A CB -0.443 18.548 19.000 -0.015 0.000 0.818 264 A HN 0.394 nan 8.150 nan 0.000 0.443 265 E N -0.444 119.732 120.200 -0.041 0.000 2.118 265 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 265 E C 1.988 178.569 176.600 -0.032 0.000 0.992 265 E CA 1.065 57.444 56.400 -0.035 0.000 0.804 265 E CB -0.221 29.454 29.700 -0.040 0.000 0.741 265 E HN 0.616 nan 8.360 nan 0.000 0.458 266 A N 0.157 122.952 122.820 -0.042 0.000 2.251 266 A HA 0.272 4.592 4.320 -0.000 0.000 0.209 266 A C 1.607 179.177 177.584 -0.024 0.000 1.187 266 A CA 0.658 52.675 52.037 -0.034 0.000 0.823 266 A CB -0.141 18.833 19.000 -0.043 0.000 0.846 266 A HN 0.297 nan 8.150 nan 0.000 0.486 267 G N -1.303 107.484 108.800 -0.021 0.000 2.249 267 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.273 267 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.273 267 G C 0.713 175.609 174.900 -0.006 0.000 1.036 267 G CA 0.416 45.509 45.100 -0.011 0.000 0.824 267 G HN 1.484 nan 8.290 nan 0.000 0.504 268 A N -0.506 122.306 122.820 -0.013 0.000 2.370 268 A HA 0.656 4.976 4.320 -0.000 0.000 0.238 268 A C 0.965 178.557 177.584 0.014 0.000 1.289 268 A CA 0.810 52.844 52.037 -0.004 0.000 0.885 268 A CB -0.311 18.678 19.000 -0.019 0.000 0.961 268 A HN 1.629 nan 8.150 nan 0.000 0.499 269 I N -3.022 117.559 120.570 0.017 0.000 2.769 269 I HA 0.779 4.949 4.170 -0.000 0.000 0.298 269 I C -1.469 174.666 176.117 0.031 0.000 1.128 269 I CA -1.111 60.211 61.300 0.036 0.000 1.031 269 I CB 2.477 40.505 38.000 0.047 0.000 1.235 269 I HN 0.094 nan 8.210 nan 0.000 0.423 270 D N 3.999 124.422 120.400 0.037 0.000 2.714 270 D HA 0.579 5.219 4.640 -0.000 0.000 0.278 270 D C 0.925 177.243 176.300 0.030 0.000 1.102 270 D CA -0.304 53.712 54.000 0.026 0.000 1.108 270 D CB 1.386 42.196 40.800 0.016 0.000 1.444 270 D HN 0.656 nan 8.370 nan 0.000 0.568 271 A N -0.336 122.493 122.820 0.015 0.000 2.042 271 A HA -0.224 4.096 4.320 -0.000 0.000 0.222 271 A C 1.720 179.316 177.584 0.020 0.000 1.167 271 A CA 1.964 54.007 52.037 0.010 0.000 0.649 271 A CB -0.859 18.134 19.000 -0.011 0.000 0.809 271 A HN 0.596 nan 8.150 nan 0.000 0.457 272 R N -0.960 119.557 120.500 0.028 0.000 2.507 272 R HA 0.174 4.514 4.340 -0.000 0.000 0.298 272 R C -0.670 175.714 176.300 0.141 0.000 0.999 272 R CA 0.078 56.211 56.100 0.055 0.000 1.082 272 R CB -0.579 29.721 30.300 -0.001 0.000 1.246 272 R HN 0.165 nan 8.270 nan 0.000 0.553 273 T N 1.395 116.023 114.554 0.123 0.000 2.919 273 T HA 0.215 4.565 4.350 -0.000 0.000 0.302 273 T C -0.297 174.495 174.700 0.154 0.000 1.031 273 T CA 0.030 62.219 62.100 0.148 0.000 1.127 273 T CB 1.886 70.820 68.868 0.109 0.000 0.952 273 T HN -0.046 nan 8.240 nan 0.000 0.540 274 V N 4.029 124.021 119.914 0.130 0.000 2.540 274 V HA 0.483 4.603 4.120 -0.000 0.000 0.302 274 V C -0.364 175.788 176.094 0.098 0.000 1.035 274 V CA -0.667 61.694 62.300 0.102 0.000 0.873 274 V CB 2.087 33.847 31.823 -0.105 0.000 0.992 274 V HN 0.687 nan 8.190 nan 0.000 0.428 275 V N 3.803 123.818 119.914 0.168 0.000 2.495 275 V HA 0.481 4.601 4.120 -0.000 0.000 0.298 275 V C -0.452 175.736 176.094 0.158 0.000 1.031 275 V CA -0.454 61.944 62.300 0.163 0.000 0.871 275 V CB 1.802 33.742 31.823 0.195 0.000 0.988 275 V HN 0.959 nan 8.190 nan 0.000 0.432 276 C N 4.718 124.103 119.300 0.142 0.000 2.340 276 C HA 0.660 5.120 4.460 -0.000 0.000 0.323 276 C C 0.041 175.135 174.990 0.174 0.000 1.260 276 C CA -0.809 58.291 59.018 0.137 0.000 1.464 276 C CB 1.159 28.945 27.740 0.077 0.000 2.156 276 C HN 0.636 nan 8.230 nan 0.000 0.476 277 V N 5.607 125.621 119.914 0.167 0.000 2.347 277 V HA 0.328 4.448 4.120 -0.000 0.000 0.280 277 V C 0.424 176.614 176.094 0.161 0.000 1.021 277 V CA -0.054 62.355 62.300 0.181 0.000 0.847 277 V CB 1.138 33.041 31.823 0.133 0.000 0.990 277 V HN 0.870 nan 8.190 nan 0.000 0.444 278 L N 2.252 123.572 121.223 0.163 0.000 2.701 278 L HA 0.234 4.574 4.340 -0.000 0.000 0.238 278 L C 1.217 178.182 176.870 0.158 0.000 1.106 278 L CA 0.346 55.296 54.840 0.183 0.000 0.898 278 L CB 0.598 42.789 42.059 0.221 0.000 1.188 278 L HN 0.685 nan 8.230 nan 0.000 0.508 279 T N 0.244 114.870 114.554 0.119 0.000 2.889 279 T HA 0.145 4.495 4.350 -0.000 0.000 0.291 279 T C 0.599 175.379 174.700 0.134 0.000 0.995 279 T CA -0.327 61.817 62.100 0.074 0.000 1.092 279 T CB 0.478 69.373 68.868 0.045 0.000 0.954 279 T HN 0.378 nan 8.240 nan 0.000 0.506 280 H N 2.287 121.373 119.070 0.026 0.000 2.510 280 H HA 0.284 4.840 4.556 -0.000 0.000 0.266 280 H C -0.362 174.961 175.328 -0.009 0.000 1.146 280 H CA -0.683 55.373 56.048 0.013 0.000 0.993 280 H CB -0.002 29.766 29.762 0.010 0.000 1.727 280 H HN 0.461 nan 8.280 nan 0.000 0.590 281 D N 3.015 123.340 120.400 -0.125 0.000 2.343 281 D HA 0.072 4.712 4.640 -0.000 0.000 0.255 281 D C -1.513 174.693 176.300 -0.155 0.000 1.187 281 D CA -2.038 51.865 54.000 -0.162 0.000 0.875 281 D CB 2.025 42.730 40.800 -0.159 0.000 1.136 281 D HN 0.073 nan 8.370 nan 0.000 0.469 282 P HA -0.192 nan 4.420 nan 0.000 0.217 282 P C 1.187 178.362 177.300 -0.208 0.000 1.148 282 P CA 1.349 64.368 63.100 -0.136 0.000 0.834 282 P CB 0.269 31.900 31.700 -0.115 0.000 0.783 283 K N -1.896 118.264 120.400 -0.401 0.000 2.103 283 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 283 K C 1.394 177.681 176.600 -0.522 0.000 1.052 283 K CA 1.308 57.255 56.287 -0.568 0.000 0.945 283 K CB -0.130 31.768 32.500 -1.004 0.000 0.722 283 K HN 0.077 nan 8.250 nan 0.000 0.443 284 F N 0.482 120.330 119.950 -0.170 0.000 2.553 284 F HA 0.021 4.548 4.527 -0.000 0.000 0.282 284 F C 2.070 177.819 175.800 -0.084 0.000 1.089 284 F CA 0.291 58.194 58.000 -0.163 0.000 1.411 284 F CB -0.539 38.327 39.000 -0.224 0.000 1.125 284 F HN 0.090 nan 8.300 nan 0.000 0.610 285 D N 0.754 121.202 120.400 0.080 0.000 2.183 285 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 285 D C 1.854 178.160 176.300 0.010 0.000 0.962 285 D CA 1.157 55.186 54.000 0.049 0.000 0.849 285 D CB -0.766 40.073 40.800 0.065 0.000 0.978 285 D HN 0.177 nan 8.370 nan 0.000 0.488 286 V N 1.482 121.388 119.914 -0.014 0.000 2.295 286 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 286 V C -0.373 175.699 176.094 -0.036 0.000 1.049 286 V CA 1.811 64.094 62.300 -0.027 0.000 1.024 286 V CB -1.918 29.881 31.823 -0.040 0.000 0.648 286 V HN 0.221 nan 8.190 nan 0.000 0.447 287 P HA -0.098 nan 4.420 nan 0.000 0.220 287 P C 1.859 179.159 177.300 -0.001 0.000 1.148 287 P CA 0.928 63.965 63.100 -0.106 0.000 0.803 287 P CB -0.017 31.463 31.700 -0.367 0.000 0.782 288 L N -0.949 120.285 121.223 0.018 0.000 2.044 288 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 288 L C 2.051 178.896 176.870 -0.041 0.000 1.075 288 L CA 1.769 56.595 54.840 -0.024 0.000 0.747 288 L CB -1.308 40.670 42.059 -0.136 0.000 0.903 288 L HN -0.160 nan 8.230 nan 0.000 0.435 289 L N -0.639 120.569 121.223 -0.025 0.000 2.291 289 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 289 L C 2.432 179.296 176.870 -0.010 0.000 1.120 289 L CA 0.817 55.647 54.840 -0.016 0.000 0.799 289 L CB -0.548 41.506 42.059 -0.008 0.000 0.925 289 L HN 0.345 nan 8.230 nan 0.000 0.446 290 E N -0.295 119.900 120.200 -0.008 0.000 2.118 290 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 290 E C 2.168 178.772 176.600 0.007 0.000 0.992 290 E CA 1.451 57.849 56.400 -0.003 0.000 0.804 290 E CB 0.056 29.752 29.700 -0.007 0.000 0.741 290 E HN 0.339 nan 8.360 nan 0.000 0.458 291 V N 0.702 120.625 119.914 0.015 0.000 2.379 291 V HA -0.098 4.022 4.120 -0.000 0.000 0.243 291 V C 2.269 178.368 176.094 0.008 0.000 1.035 291 V CA 1.408 63.719 62.300 0.018 0.000 1.035 291 V CB -0.602 31.239 31.823 0.031 0.000 0.673 291 V HN 0.258 nan 8.190 nan 0.000 0.457 292 A N 0.348 123.168 122.820 0.000 0.000 1.908 292 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 292 A C 2.069 179.657 177.584 0.005 0.000 1.181 292 A CA 1.854 53.895 52.037 0.007 0.000 0.627 292 A CB -0.602 18.400 19.000 0.002 0.000 0.818 292 A HN 0.529 nan 8.150 nan 0.000 0.445 293 L N -1.506 119.716 121.223 -0.002 0.000 2.591 293 L HA 0.113 4.453 4.340 -0.000 0.000 0.228 293 L C 2.054 178.924 176.870 -0.000 0.000 1.133 293 L CA 0.210 55.047 54.840 -0.004 0.000 0.880 293 L CB -0.071 41.983 42.059 -0.008 0.000 1.033 293 L HN 0.259 nan 8.230 nan 0.000 0.450 294 R N -0.616 119.886 120.500 0.003 0.000 2.397 294 R HA 0.287 4.627 4.340 -0.000 0.000 0.241 294 R C 0.177 176.481 176.300 0.006 0.000 0.914 294 R CA -0.238 55.864 56.100 0.004 0.000 1.071 294 R CB 0.535 30.837 30.300 0.004 0.000 1.116 294 R HN 0.217 nan 8.270 nan 0.000 0.524 295 L N 2.119 123.347 121.223 0.009 0.000 2.436 295 L HA 0.228 4.568 4.340 -0.000 0.000 0.265 295 L C -1.771 175.106 176.870 0.010 0.000 1.168 295 L CA -1.808 53.039 54.840 0.011 0.000 0.815 295 L CB 0.382 42.452 42.059 0.018 0.000 1.109 295 L HN -0.165 nan 8.230 nan 0.000 0.462 296 P HA -0.010 nan 4.420 nan 0.000 0.271 296 P C -1.139 176.168 177.300 0.013 0.000 1.238 296 P CA -0.402 62.703 63.100 0.009 0.000 0.794 296 P CB 0.292 31.996 31.700 0.007 0.000 0.959 297 D N 0.394 120.801 120.400 0.011 0.000 2.554 297 D HA 0.046 4.686 4.640 -0.000 0.000 0.251 297 D C 0.248 176.560 176.300 0.021 0.000 1.213 297 D CA 0.717 54.725 54.000 0.013 0.000 0.900 297 D CB -0.616 40.187 40.800 0.006 0.000 1.135 297 D HN 0.213 nan 8.370 nan 0.000 0.522 298 I N -1.160 119.428 120.570 0.031 0.000 3.023 298 I HA 0.677 4.847 4.170 -0.000 0.000 0.312 298 I C 0.885 177.038 176.117 0.061 0.000 1.056 298 I CA -1.045 60.285 61.300 0.049 0.000 1.033 298 I CB 2.044 40.081 38.000 0.061 0.000 1.233 298 I HN 0.141 nan 8.210 nan 0.000 0.462 299 A N 2.217 125.091 122.820 0.091 0.000 1.975 299 A HA 0.149 4.469 4.320 -0.000 0.000 0.215 299 A C 0.364 178.068 177.584 0.199 0.000 1.170 299 A CA 1.162 53.267 52.037 0.114 0.000 0.656 299 A CB -0.202 18.867 19.000 0.114 0.000 0.821 299 A HN 0.815 nan 8.150 nan 0.000 0.449 300 Y N -1.568 118.747 120.300 0.025 0.000 2.357 300 Y HA 0.517 5.067 4.550 -0.000 0.000 0.319 300 Y C -1.934 173.983 175.900 0.029 0.000 1.225 300 Y CA -1.150 56.963 58.100 0.021 0.000 1.095 300 Y CB 0.946 39.412 38.460 0.010 0.000 1.302 300 Y HN 0.032 nan 8.280 nan 0.000 0.429 301 I N 6.121 126.392 120.570 -0.498 0.000 2.420 301 I HA 0.618 4.788 4.170 -0.000 0.000 0.282 301 I C 0.110 175.860 176.117 -0.612 0.000 1.019 301 I CA -0.591 60.481 61.300 -0.381 0.000 1.130 301 I CB 1.834 39.743 38.000 -0.152 0.000 1.262 301 I HN 0.818 nan 8.210 nan 0.000 0.454 302 G N 4.540 113.028 108.800 -0.520 0.000 2.470 302 G HA2 0.768 4.728 3.960 -0.000 0.000 0.320 302 G HA3 0.768 4.728 3.960 -0.000 0.000 0.320 302 G C -1.028 173.848 174.900 -0.039 0.000 1.245 302 G CA -0.549 44.366 45.100 -0.308 0.000 0.935 302 G HN 0.670 nan 8.290 nan 0.000 0.476 303 A N 3.481 126.296 122.820 -0.010 0.000 2.318 303 A HA 0.717 5.037 4.320 -0.000 0.000 0.317 303 A C 0.067 177.687 177.584 0.060 0.000 1.159 303 A CA -0.643 51.424 52.037 0.050 0.000 0.799 303 A CB 1.256 20.286 19.000 0.051 0.000 1.194 303 A HN 0.733 nan 8.150 nan 0.000 0.479 304 M N 2.194 121.847 119.600 0.089 0.000 2.241 304 M HA 0.530 5.010 4.480 -0.000 0.000 0.335 304 M C 0.463 176.766 176.300 0.005 0.000 1.122 304 M CA 1.205 56.543 55.300 0.062 0.000 1.164 304 M CB 1.175 33.837 32.600 0.104 0.000 1.459 304 M HN 1.271 nan 8.290 nan 0.000 0.461 305 G N 1.559 110.328 108.800 -0.052 0.000 2.333 305 G HA2 0.103 4.063 3.960 -0.000 0.000 0.330 305 G HA3 0.103 4.063 3.960 -0.000 0.000 0.330 305 G C -1.182 173.666 174.900 -0.086 0.000 1.465 305 G CA -0.276 44.760 45.100 -0.107 0.000 0.996 305 G HN 0.916 nan 8.290 nan 0.000 0.655 306 S N -0.682 114.965 115.700 -0.088 0.000 2.690 306 S HA 0.775 5.245 4.470 -0.000 0.000 0.285 306 S C 2.098 176.702 174.600 0.007 0.000 1.135 306 S CA 1.045 59.211 58.200 -0.056 0.000 1.020 306 S CB 0.980 64.145 63.200 -0.058 0.000 1.159 306 S HN 2.177 nan 8.310 nan 0.000 0.534 307 R N 0.778 121.291 120.500 0.022 0.000 2.117 307 R HA -0.132 4.208 4.340 -0.000 0.000 0.243 307 R C 2.328 178.675 176.300 0.078 0.000 1.143 307 R CA 2.295 58.453 56.100 0.097 0.000 0.968 307 R CB -1.777 28.554 30.300 0.051 0.000 0.863 307 R HN 0.926 nan 8.270 nan 0.000 0.444 308 R N 0.282 120.791 120.500 0.016 0.000 2.057 308 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 308 R C 2.460 178.741 176.300 -0.032 0.000 1.136 308 R CA 2.104 58.197 56.100 -0.011 0.000 0.952 308 R CB -1.083 29.205 30.300 -0.020 0.000 0.848 308 R HN 0.418 nan 8.270 nan 0.000 0.430 309 T N -1.578 112.937 114.554 -0.065 0.000 2.995 309 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 309 T C 1.747 176.414 174.700 -0.054 0.000 1.091 309 T CA 1.257 63.283 62.100 -0.124 0.000 1.128 309 T CB -0.424 68.210 68.868 -0.389 0.000 0.891 309 T HN 0.653 nan 8.240 nan 0.000 0.492 310 H N 1.158 120.173 119.070 -0.092 0.000 2.415 310 H HA 0.219 4.775 4.556 -0.000 0.000 0.297 310 H C 2.039 177.345 175.328 -0.037 0.000 1.048 310 H CA 1.325 57.337 56.048 -0.058 0.000 1.365 310 H CB -0.196 29.535 29.762 -0.052 0.000 1.421 310 H HN 0.422 nan 8.280 nan 0.000 0.533 311 E N -0.061 119.896 120.200 -0.404 0.000 2.152 311 E HA -0.128 4.221 4.350 -0.000 0.000 0.192 311 E C 1.516 177.999 176.600 -0.195 0.000 0.983 311 E CA 0.756 56.933 56.400 -0.371 0.000 0.818 311 E CB 0.125 29.712 29.700 -0.189 0.000 0.758 311 E HN 0.510 nan 8.360 nan 0.000 0.467 312 D N 0.647 120.975 120.400 -0.121 0.000 2.144 312 D HA -0.146 4.494 4.640 -0.000 0.000 0.200 312 D C 1.948 178.210 176.300 -0.062 0.000 0.978 312 D CA 0.812 54.770 54.000 -0.069 0.000 0.833 312 D CB 0.083 40.862 40.800 -0.035 0.000 0.961 312 D HN 0.036 nan 8.370 nan 0.000 0.470 313 R N 0.063 120.522 120.500 -0.068 0.000 2.115 313 R HA -0.001 4.339 4.340 -0.000 0.000 0.226 313 R C 2.516 178.774 176.300 -0.070 0.000 1.100 313 R CA 0.434 56.509 56.100 -0.042 0.000 0.980 313 R CB -0.122 30.176 30.300 -0.003 0.000 0.875 313 R HN 0.170 nan 8.270 nan 0.000 0.445 314 L N 0.180 121.321 121.223 -0.137 0.000 2.072 314 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 314 L C 2.636 179.452 176.870 -0.089 0.000 1.079 314 L CA 1.186 55.946 54.840 -0.132 0.000 0.752 314 L CB -0.471 41.450 42.059 -0.230 0.000 0.906 314 L HN 0.322 nan 8.230 nan 0.000 0.436 315 A N 0.100 122.867 122.820 -0.089 0.000 1.858 315 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 315 A C 2.342 179.898 177.584 -0.046 0.000 1.190 315 A CA 1.828 53.829 52.037 -0.061 0.000 0.617 315 A CB -0.639 18.327 19.000 -0.056 0.000 0.827 315 A HN 0.322 nan 8.150 nan 0.000 0.443 316 R N -0.678 119.796 120.500 -0.044 0.000 2.211 316 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 316 R C 2.094 178.375 176.300 -0.033 0.000 1.144 316 R CA 1.631 57.709 56.100 -0.036 0.000 0.992 316 R CB -0.679 29.601 30.300 -0.032 0.000 0.869 316 R HN 0.470 nan 8.270 nan 0.000 0.462 317 L N -0.744 120.458 121.223 -0.035 0.000 2.095 317 L HA 0.070 4.410 4.340 -0.000 0.000 0.204 317 L C 2.430 179.284 176.870 -0.026 0.000 1.080 317 L CA 1.687 56.509 54.840 -0.029 0.000 0.759 317 L CB -1.061 40.981 42.059 -0.028 0.000 0.914 317 L HN 0.150 nan 8.230 nan 0.000 0.439 318 R N -0.113 120.369 120.500 -0.029 0.000 2.120 318 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 318 R C 2.217 178.504 176.300 -0.022 0.000 1.123 318 R CA 1.628 57.714 56.100 -0.024 0.000 0.975 318 R CB -0.411 29.873 30.300 -0.026 0.000 0.866 318 R HN 0.816 nan 8.270 nan 0.000 0.446 319 E N -0.387 119.798 120.200 -0.024 0.000 2.150 319 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 319 E C 1.663 178.251 176.600 -0.021 0.000 0.985 319 E CA 1.084 57.470 56.400 -0.022 0.000 0.814 319 E CB -0.022 29.664 29.700 -0.024 0.000 0.752 319 E HN 0.383 nan 8.360 nan 0.000 0.466 320 A N 0.032 122.839 122.820 -0.022 0.000 2.167 320 A HA 0.216 4.536 4.320 -0.000 0.000 0.214 320 A C 1.812 179.386 177.584 -0.017 0.000 1.151 320 A CA 1.014 53.038 52.037 -0.021 0.000 0.735 320 A CB -0.128 18.858 19.000 -0.024 0.000 0.802 320 A HN 0.359 nan 8.150 nan 0.000 0.467 321 G N -1.752 107.039 108.800 -0.016 0.000 2.211 321 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.201 321 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.201 321 G C 0.110 175.003 174.900 -0.011 0.000 0.997 321 G CA -0.106 44.986 45.100 -0.013 0.000 0.652 321 G HN 0.350 nan 8.290 nan 0.000 0.500 322 L N 3.065 124.280 121.223 -0.013 0.000 2.584 322 L HA 0.325 4.665 4.340 -0.000 0.000 0.272 322 L C 1.746 178.610 176.870 -0.010 0.000 1.195 322 L CA 0.743 55.577 54.840 -0.011 0.000 0.920 322 L CB 0.437 42.488 42.059 -0.013 0.000 1.173 322 L HN 0.467 nan 8.230 nan 0.000 0.489 323 T N -0.645 113.905 114.554 -0.007 0.000 2.813 323 T HA 0.098 4.448 4.350 -0.000 0.000 0.297 323 T C 0.982 175.679 174.700 -0.005 0.000 1.036 323 T CA -0.846 61.250 62.100 -0.006 0.000 1.044 323 T CB 1.139 70.005 68.868 -0.004 0.000 0.993 323 T HN 0.509 nan 8.240 nan 0.000 0.535 324 E N 0.257 120.455 120.200 -0.004 0.000 2.208 324 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 324 E C 1.956 178.557 176.600 0.000 0.000 0.988 324 E CA 0.787 57.186 56.400 -0.002 0.000 0.828 324 E CB -0.202 29.497 29.700 -0.001 0.000 0.763 324 E HN 0.838 nan 8.360 nan 0.000 0.478 325 E N 1.458 121.658 120.200 0.000 0.000 2.077 325 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 325 E C 1.724 178.324 176.600 0.001 0.000 0.989 325 E CA 1.328 57.729 56.400 0.002 0.000 0.800 325 E CB 0.088 29.788 29.700 0.001 0.000 0.746 325 E HN 0.285 nan 8.360 nan 0.000 0.452 326 E N -0.440 119.759 120.200 -0.001 0.000 2.107 326 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 326 E C 2.010 178.608 176.600 -0.004 0.000 0.982 326 E CA 0.637 57.036 56.400 -0.002 0.000 0.809 326 E CB -0.024 29.674 29.700 -0.003 0.000 0.756 326 E HN 0.278 nan 8.360 nan 0.000 0.459 327 L N 0.533 121.755 121.223 -0.002 0.000 2.465 327 L HA -0.039 4.301 4.340 -0.000 0.000 0.224 327 L C 2.313 179.186 176.870 0.005 0.000 1.145 327 L CA 0.313 55.153 54.840 -0.000 0.000 0.834 327 L CB -0.173 41.885 42.059 -0.001 0.000 0.944 327 L HN 0.125 nan 8.230 nan 0.000 0.451 328 A N -0.181 122.642 122.820 0.004 0.000 2.066 328 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 328 A C 2.340 179.925 177.584 0.002 0.000 1.157 328 A CA 0.927 52.969 52.037 0.007 0.000 0.670 328 A CB -0.323 18.682 19.000 0.008 0.000 0.804 328 A HN 0.296 nan 8.150 nan 0.000 0.453 329 R N -1.386 119.111 120.500 -0.006 0.000 2.307 329 R HA 0.115 4.455 4.340 -0.000 0.000 0.199 329 R C -0.133 176.138 176.300 -0.049 0.000 1.000 329 R CA -0.175 55.914 56.100 -0.018 0.000 1.023 329 R CB -0.239 30.052 30.300 -0.014 0.000 0.908 329 R HN 0.426 nan 8.270 nan 0.000 0.473 330 L N 0.669 121.867 121.223 -0.041 0.000 2.331 330 L HA 0.102 4.442 4.340 -0.000 0.000 0.278 330 L C -0.356 176.468 176.870 -0.076 0.000 1.106 330 L CA 0.632 55.432 54.840 -0.066 0.000 0.824 330 L CB 1.778 43.826 42.059 -0.019 0.000 1.142 330 L HN -0.211 nan 8.230 nan 0.000 0.443 331 S N 3.190 118.793 115.700 -0.160 0.000 2.921 331 S HA 0.351 4.821 4.470 -0.000 0.000 0.244 331 S C -0.255 174.299 174.600 -0.077 0.000 1.291 331 S CA -0.263 57.867 58.200 -0.117 0.000 1.010 331 S CB 0.000 63.091 63.200 -0.181 0.000 1.255 331 S HN 0.648 nan 8.310 nan 0.000 0.492 332 S N 3.806 119.472 115.700 -0.057 0.000 2.532 332 S HA 0.615 5.085 4.470 -0.000 0.000 0.299 332 S C -2.603 171.781 174.600 -0.361 0.000 1.105 332 S CA -1.631 56.505 58.200 -0.107 0.000 1.018 332 S CB 0.783 64.034 63.200 0.085 0.000 1.021 332 S HN 0.336 nan 8.310 nan 0.000 0.483 333 P HA 0.201 nan 4.420 nan 0.000 0.269 333 P C -0.256 177.001 177.300 -0.072 0.000 1.215 333 P CA -0.419 62.549 63.100 -0.219 0.000 0.780 333 P CB 0.443 32.023 31.700 -0.201 0.000 0.898 334 I N 0.647 121.216 120.570 -0.003 0.000 2.588 334 I HA 0.362 4.532 4.170 -0.000 0.000 0.283 334 I C 0.660 176.838 176.117 0.102 0.000 1.119 334 I CA 1.178 62.531 61.300 0.089 0.000 1.419 334 I CB -0.332 37.751 38.000 0.138 0.000 1.394 334 I HN 0.784 nan 8.210 nan 0.000 0.562 335 G N 5.950 114.842 108.800 0.153 0.000 2.712 335 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 335 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 335 G C -0.810 174.131 174.900 0.068 0.000 1.321 335 G CA -0.840 44.325 45.100 0.108 0.000 0.813 335 G HN 0.718 nan 8.290 nan 0.000 0.599 336 L N 0.229 121.485 121.223 0.055 0.000 2.439 336 L HA 0.289 4.629 4.340 -0.000 0.000 0.269 336 L C 0.892 177.778 176.870 0.026 0.000 1.179 336 L CA -0.318 54.546 54.840 0.039 0.000 0.828 336 L CB 0.597 42.677 42.059 0.036 0.000 1.106 336 L HN 0.677 nan 8.230 nan 0.000 0.467 337 D N 1.884 122.294 120.400 0.016 0.000 2.441 337 D HA 0.109 4.749 4.640 -0.000 0.000 0.243 337 D C 0.506 176.812 176.300 0.011 0.000 1.257 337 D CA -0.040 53.965 54.000 0.008 0.000 1.027 337 D CB 0.593 41.394 40.800 0.001 0.000 1.084 337 D HN 0.265 nan 8.370 nan 0.000 0.514 338 L N 2.438 123.669 121.223 0.013 0.000 2.416 338 L HA 0.315 4.655 4.340 -0.000 0.000 0.216 338 L C 2.120 178.995 176.870 0.008 0.000 1.098 338 L CA 0.905 55.752 54.840 0.013 0.000 0.840 338 L CB -0.522 41.548 42.059 0.018 0.000 0.981 338 L HN 0.713 nan 8.230 nan 0.000 0.462 339 G N -0.951 107.852 108.800 0.005 0.000 2.143 339 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.249 339 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.249 339 G C 0.751 175.651 174.900 0.000 0.000 0.981 339 G CA 0.032 45.132 45.100 0.000 0.000 0.665 339 G HN 0.663 nan 8.290 nan 0.000 0.528 340 G N -1.445 107.358 108.800 0.005 0.000 2.503 340 G HA2 0.674 4.634 3.960 -0.000 0.000 0.257 340 G HA3 0.674 4.634 3.960 -0.000 0.000 0.257 340 G C 0.627 175.527 174.900 -0.001 0.000 1.214 340 G CA 0.858 45.962 45.100 0.007 0.000 0.839 340 G HN 1.255 nan 8.290 nan 0.000 0.559 341 R N 0.366 120.866 120.500 -0.001 0.000 2.121 341 R HA 0.329 4.669 4.340 -0.000 0.000 0.206 341 R C 1.685 177.980 176.300 -0.008 0.000 1.094 341 R CA 1.276 57.369 56.100 -0.011 0.000 1.055 341 R CB -1.040 29.255 30.300 -0.009 0.000 0.964 341 R HN 0.702 nan 8.270 nan 0.000 0.473 342 T N 1.038 115.599 114.554 0.011 0.000 2.906 342 T HA 0.144 4.494 4.350 -0.000 0.000 0.320 342 T C -1.746 172.989 174.700 0.059 0.000 1.088 342 T CA -0.896 61.222 62.100 0.029 0.000 1.120 342 T CB 1.186 70.075 68.868 0.034 0.000 1.000 342 T HN 0.192 nan 8.240 nan 0.000 0.550 343 P HA 0.006 nan 4.420 nan 0.000 0.225 343 P C 0.875 178.362 177.300 0.312 0.000 1.148 343 P CA 0.796 64.055 63.100 0.264 0.000 0.779 343 P CB 0.227 32.148 31.700 0.368 0.000 0.780 344 E N -0.194 120.101 120.200 0.157 0.000 2.076 344 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 344 E C 1.906 178.556 176.600 0.084 0.000 0.979 344 E CA 0.941 57.399 56.400 0.097 0.000 0.807 344 E CB -0.602 29.126 29.700 0.047 0.000 0.761 344 E HN 0.350 nan 8.360 nan 0.000 0.454 345 E N -0.101 120.143 120.200 0.073 0.000 2.110 345 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 345 E C 1.855 178.504 176.600 0.082 0.000 0.988 345 E CA 1.583 58.017 56.400 0.057 0.000 0.804 345 E CB -0.082 29.641 29.700 0.037 0.000 0.745 345 E HN 0.195 nan 8.360 nan 0.000 0.458 346 T N 0.772 115.402 114.554 0.127 0.000 2.777 346 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 346 T C 2.022 176.866 174.700 0.240 0.000 1.040 346 T CA 1.187 63.389 62.100 0.170 0.000 1.141 346 T CB -0.213 68.738 68.868 0.138 0.000 0.868 346 T HN 0.251 nan 8.240 nan 0.000 0.444 347 A N 1.007 123.978 122.820 0.252 0.000 1.898 347 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 347 A C 2.594 180.210 177.584 0.054 0.000 1.181 347 A CA 1.153 53.254 52.037 0.106 0.000 0.620 347 A CB -1.025 17.969 19.000 -0.010 0.000 0.819 347 A HN 0.334 nan 8.150 nan 0.000 0.442 348 V N -0.089 119.857 119.914 0.053 0.000 2.287 348 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 348 V C 2.888 179.006 176.094 0.041 0.000 1.053 348 V CA 2.409 64.731 62.300 0.037 0.000 1.027 348 V CB -0.807 31.032 31.823 0.026 0.000 0.646 348 V HN 0.718 nan 8.190 nan 0.000 0.447 349 S N -0.338 115.394 115.700 0.054 0.000 2.370 349 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 349 S C 1.895 176.523 174.600 0.046 0.000 1.033 349 S CA 1.981 60.211 58.200 0.050 0.000 1.011 349 S CB -0.424 62.810 63.200 0.057 0.000 0.852 349 S HN 0.527 nan 8.310 nan 0.000 0.457 350 I N 1.582 122.187 120.570 0.059 0.000 2.252 350 I HA -0.077 4.093 4.170 -0.000 0.000 0.245 350 I C 2.879 178.951 176.117 -0.074 0.000 1.102 350 I CA 1.081 62.402 61.300 0.035 0.000 1.385 350 I CB -0.529 37.523 38.000 0.086 0.000 1.064 350 I HN 0.400 nan 8.210 nan 0.000 0.414 351 A N 0.654 123.446 122.820 -0.046 0.000 1.972 351 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 351 A C 2.491 180.057 177.584 -0.030 0.000 1.169 351 A CA 1.779 53.785 52.037 -0.051 0.000 0.635 351 A CB -0.752 18.260 19.000 0.019 0.000 0.810 351 A HN 0.429 nan 8.150 nan 0.000 0.446 352 A N -0.648 122.170 122.820 -0.003 0.000 1.968 352 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 352 A C 1.989 179.572 177.584 -0.001 0.000 1.169 352 A CA 1.574 53.620 52.037 0.014 0.000 0.638 352 A CB -0.366 18.650 19.000 0.027 0.000 0.812 352 A HN 0.654 nan 8.150 nan 0.000 0.446 353 E N -0.206 119.973 120.200 -0.036 0.000 2.112 353 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 353 E C 1.806 178.319 176.600 -0.146 0.000 0.979 353 E CA 0.694 57.073 56.400 -0.035 0.000 0.814 353 E CB -0.160 29.559 29.700 0.031 0.000 0.762 353 E HN 0.644 nan 8.360 nan 0.000 0.460 354 I N 0.899 121.254 120.570 -0.359 0.000 2.208 354 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 354 I C 2.261 178.322 176.117 -0.093 0.000 1.097 354 I CA 1.119 62.153 61.300 -0.444 0.000 1.363 354 I CB -0.153 37.564 38.000 -0.473 0.000 1.051 354 I HN 0.211 nan 8.210 nan 0.000 0.413 355 I N 0.420 120.999 120.570 0.015 0.000 2.252 355 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 355 I C 2.733 178.987 176.117 0.229 0.000 1.102 355 I CA 1.290 62.694 61.300 0.173 0.000 1.385 355 I CB -0.455 37.638 38.000 0.156 0.000 1.064 355 I HN 0.156 nan 8.210 nan 0.000 0.414 356 A N 0.612 123.509 122.820 0.129 0.000 1.933 356 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 356 A C 2.269 179.937 177.584 0.139 0.000 1.175 356 A CA 1.548 53.666 52.037 0.134 0.000 0.628 356 A CB -0.377 18.674 19.000 0.085 0.000 0.814 356 A HN 0.339 nan 8.150 nan 0.000 0.444 357 K N -1.099 119.364 120.400 0.105 0.000 2.305 357 K HA 0.025 4.345 4.320 -0.000 0.000 0.199 357 K C 2.139 178.770 176.600 0.052 0.000 1.047 357 K CA 0.532 56.877 56.287 0.095 0.000 0.976 357 K CB -0.006 32.575 32.500 0.134 0.000 0.765 357 K HN 0.392 nan 8.250 nan 0.000 0.474 358 R N -0.130 120.386 120.500 0.026 0.000 2.189 358 R HA -0.060 4.280 4.340 -0.000 0.000 0.218 358 R C -0.165 175.911 176.300 -0.374 0.000 1.074 358 R CA 0.854 56.851 56.100 -0.171 0.000 0.991 358 R CB 0.292 30.478 30.300 -0.190 0.000 0.883 358 R HN 0.044 nan 8.270 nan 0.000 0.457 359 W N 0.000 121.312 121.300 0.020 0.000 2.388 359 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 359 W CA 0.000 57.353 57.345 0.014 0.000 1.226 359 W CB 0.000 29.465 29.460 0.009 0.000 1.126 359 W HN 0.000 nan 8.180 nan 0.000 0.535